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Home > Other Heterocycles > 127472-42-8
127472-42-8 | 2H-Indazole-3-carboxamide, 2-methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-
CAS No: 127472-42-8 Catalog No: AG000X4D MDL No:MFCD09840381
Product Description
Catalog Number:
AG000X4D
Chemical Name:
2H-Indazole-3-carboxamide, 2-methyl-N-[(3-endo)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-
CAS Number:
127472-42-8
Molecular Formula:
C18H24N4O
Molecular Weight:
312.4094
MDL Number:
MFCD09840381
IUPAC Name:
2-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)indazole-3-carboxamide
InChI:
InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)20-22(17)2/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)
InChI Key:
INMQDEMSQWWCSB-UHFFFAOYSA-N
SMILES:
CN1C2CCCC1CC(C2)NC(=O)c1n(C)nc2c1cccc2
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.195g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.417g/mol
Monoisotopic Mass:
312.195g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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