N-benzhydryl-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

C22H20N4O — CID 70805630

IUPACN-benzhydryl-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC(c2ccccc2)c2ccccc2)c2c(C)[nH]nc2n1
InChIInChI=1S/C22H20N4O/c1-14-13-18(19-15(2)25-26-21(19)23-14)22(27)24-20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-13,20H,1-2H3,(H,24,27)(H,23,25,26)
InChIKeyWGVSDAXWBAEIKP-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.09
Rot. Bonds4

About N-benzhydryl-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

N-benzhydryl-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 70805630) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is N-benzhydryl-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID70805630
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC NameN-benzhydryl-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC(c2ccccc2)c2ccccc2)c2c(C)[nH]nc2n1
InChIInChI=1S/C22H20N4O/c1-14-13-18(19-15(2)25-26-21(19)23-14)22(27)24-20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-13,20H,1-2H3,(H,24,27)(H,23,25,26)
InChIKeyWGVSDAXWBAEIKP-UHFFFAOYSA-N
XLogP4.09
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-hydroxyphenyl)-3-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 136591864
N-benzhydryl-2,4,5-trimethylbenzamide
CID 100710488
methyl (E)-4-[(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carbonyl)amino]but-2-enoate
CID 146105972
N-benzhydryl-2,4-dimethylpyrimidine-5-carboxamide
CID 92648536
6-(4-hydroxyphenyl)-3-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 136591877
N-benzhydryl-2,5-dimethylpyrazole-3-carboxamide
CID 87023695
2,5-dimethyl-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 100743905
N-benzhydryl-6-methylpyrazine-2-carboxamide
CID 146075272
N-[(4-methoxyphenyl)-phenylmethyl]-2,6-dimethylpyridine-3-carboxamide
CID 55875751
N-benzhydryl-2-methyl-5-methylsulfonylbenzamide
CID 27254371
N-[(3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethyl]acetamide
CID 102030501
2,5-dimethoxy-N-[(S)-(4-methoxyphenyl)-phenylmethyl]benzamide
CID 9118748

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-benzhydryl-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (CID 70805630) is N-benzhydryl-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-benzhydryl-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-benzhydryl-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NC(c2ccccc2)c2ccccc2)c2c(C)[nH]nc2n1.
What is the InChIKey of N-benzhydryl-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is WGVSDAXWBAEIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-14-13-18(19-15(2)25-26-21(19)23-14)22(27)24-20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-13,20H,1-2H3,(H,24,27)(H,23,25,26).
What are the key properties of N-benzhydryl-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
N-benzhydryl-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 70805630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).