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Home > Pyridines > 1160245-31-7
1160245-31-7 | N-[(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methyl]-N-phenylbenzamide
CAS No: 1160245-31-7 Catalog No: AG00JDJ3 MDL No:MFCD12197654
Product Description
Catalog Number:
AG00JDJ3
Chemical Name:
N-[(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methyl]-N-phenylbenzamide
CAS Number:
1160245-31-7
Molecular Formula:
C21H22N4O
Molecular Weight:
346.4256
MDL Number:
MFCD12197654
IUPAC Name:
N-[(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)methyl]-N-phenylbenzamide
InChI:
InChI=1S/C21H22N4O/c1-24-20-12-13-22-14-18(20)19(23-24)15-25(17-10-6-3-7-11-17)21(26)16-8-4-2-5-9-16/h2-11,22H,12-15H2,1H3
InChI Key:
OYZJSKURBLUPEI-UHFFFAOYSA-N
SMILES:
O=C(N(c1ccccc1)Cc1nn(c2c1CNCC2)C)c1ccccc1
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.179g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
346.434g/mol
Monoisotopic Mass:
346.179g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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