N-(5,6-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide

C22H18N4O — CID 6539577

IUPACN-(5,6-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide
SMILESO=C(Nc1n[nH]c2nc(-c3ccccc3)c(-c3ccccc3)cc12)C1CC1
InChIInChI=1S/C22H18N4O/c27-22(16-11-12-16)24-21-18-13-17(14-7-3-1-4-8-14)19(23-20(18)25-26-21)15-9-5-2-6-10-15/h1-10,13,16H,11-12H2,(H2,23,24,25,26,27)
InChIKeyUAILDZHGMNDSLW-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.64
Rot. Bonds4

About N-(5,6-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide

N-(5,6-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide (PubChem CID 6539577) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(5,6-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(5,6-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide
PubChem CID6539577
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC NameN-(5,6-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide
SMILESO=C(Nc1n[nH]c2nc(-c3ccccc3)c(-c3ccccc3)cc12)C1CC1
InChIInChI=1S/C22H18N4O/c27-22(16-11-12-16)24-21-18-13-17(14-7-3-1-4-8-14)19(23-20(18)25-26-21)15-9-5-2-6-10-15/h1-10,13,16H,11-12H2,(H2,23,24,25,26,27)
InChIKeyUAILDZHGMNDSLW-UHFFFAOYSA-N
XLogP4.64
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]cyclopropanecarboxamide
CID 6539561
N-{5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl}butanamide
CID 6539527
Pyrazolopyridine deriv. 9
CID 6539533
N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)butanamide
CID 6539535
N-[5-(2-fluorophenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]butanamide
CID 6539542
4-(dimethylamino)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide
CID 6539554
N-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide
CID 6539578
N-{5-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl}propanamide
CID 6539534
2-methyl-N-{5-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl}propanamide
CID 6539536
N-{5-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl}cyclopentanecarboxamide
CID 6539537
N-[5-(3-fluorophenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]butanamide
CID 6539543
N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]butanamide
CID 6539544

Frequently Asked Questions

What is the IUPAC name of N-(5,6-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide?
The IUPAC name of N-(5,6-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide (CID 6539577) is N-(5,6-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(5,6-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(5,6-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide is O=C(Nc1n[nH]c2nc(-c3ccccc3)c(-c3ccccc3)cc12)C1CC1.
What is the InChIKey of N-(5,6-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide?
The InChIKey is UAILDZHGMNDSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c27-22(16-11-12-16)24-21-18-13-17(14-7-3-1-4-8-14)19(23-20(18)25-26-21)15-9-5-2-6-10-15/h1-10,13,16H,11-12H2,(H2,23,24,25,26,27).
What are the key properties of N-(5,6-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide?
N-(5,6-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide has a molecular weight of 354.41 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)cyclopropanecarboxamide is sourced from PubChem (CID 6539577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).