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Home > Fluorides > 1173699-31-4
1173699-31-4 | 1,6-Naphthyridin-5(6H)-one, 6-[(1R)-1-[8-fluoro-6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxy)-
CAS No: 1173699-31-4 Catalog No: AG000E62 MDL No:
Product Description
Catalog Number:
AG000E62
Chemical Name:
1,6-Naphthyridin-5(6H)-one, 6-[(1R)-1-[8-fluoro-6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxy)-
CAS Number:
1173699-31-4
Molecular Formula:
C23H22FN7O3
Molecular Weight:
463.4643
IUPAC Name:
6-[(1R)-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one
InChI:
InChI=1S/C23H22FN7O3/c1-14(30-5-4-20-18(23(30)32)9-17(11-25-20)34-7-6-33-3)21-27-28-22-19(24)8-15(13-31(21)22)16-10-26-29(2)12-16/h4-5,8-14H,6-7H2,1-3H3/t14-/m1/s1
InChI Key:
DWHXUGDWKAIASB-CQSZACIVSA-N
SMILES:
COCCOc1cnc2c(c1)c(=O)n(cc2)[C@@H](c1nnc2n1cc(cc2F)c1cnn(c1)C)C
UNII:
08WG8S0L8D
Properties
Complexity:
760
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
463.177g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
463.473g/mol
Monoisotopic Mass:
463.177g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
99.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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