1-(cyanomethyl)-N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)pyrazole-3-carboxamide

C20H19N7O2 — CID 177014207

IUPAC1-(cyanomethyl)-N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)pyrazole-3-carboxamide
SMILESCCN1C(=O)C(NC(=O)c2ccn(CC#N)n2)Cc2cnn(-c3ccccc3)c21
InChIInChI=1S/C20H19N7O2/c1-2-26-19-14(13-22-27(19)15-6-4-3-5-7-15)12-17(20(26)29)23-18(28)16-8-10-25(24-16)11-9-21/h3-8,10,13,17H,2,11-12H2,1H3,(H,23,28)
InChIKeyNBKUIWIBQXTQEP-UHFFFAOYSA-N
MW389.42 g/mol
LogP1.30
Rot. Bonds5

About 1-(cyanomethyl)-N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)pyrazole-3-carboxamide

1-(cyanomethyl)-N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)pyrazole-3-carboxamide (PubChem CID 177014207) has the molecular formula C20H19N7O2 and a molecular weight of 389.42 g/mol. Its IUPAC name is 1-(cyanomethyl)-N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(cyanomethyl)-N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)pyrazole-3-carboxamide
PubChem CID177014207
Molecular FormulaC20H19N7O2
Molecular Weight389.42 g/mol
Exact Mass389.16
IUPAC Name1-(cyanomethyl)-N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)pyrazole-3-carboxamide
SMILESCCN1C(=O)C(NC(=O)c2ccn(CC#N)n2)Cc2cnn(-c3ccccc3)c21
InChIInChI=1S/C20H19N7O2/c1-2-26-19-14(13-22-27(19)15-6-4-3-5-7-15)12-17(20(26)29)23-18(28)16-8-10-25(24-16)11-9-21/h3-8,10,13,17H,2,11-12H2,1H3,(H,23,28)
InChIKeyNBKUIWIBQXTQEP-UHFFFAOYSA-N
XLogP1.30
TPSA108.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-2-methylidene-3-morpholin-4-ylbutanamide;N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)-1-(trifluoromethyl)pyrazole-3-carboxamide
CID 177014388
N-benzyl-2-methylidene-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)butanamide;1-cyclopropyl-N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)pyrazole-3-carboxamide
CID 177014243
N-benzyl-2-methylidene-3-[methyl(oxetan-3-yl)amino]butanamide;1-cyclopropyl-N-[(5S)-7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]pyrazole-3-carboxamide;molecular hydrogen
CID 177014214
tert-butyl N-benzylcarbamate;N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)-3-(trifluoromethyl)benzamide
CID 177014218
N-benzyl-2-chloro-2-fluoroacetamide;N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)-3-(trifluoromethyl)benzamide
CID 177014476
N-benzyl-2-(morpholin-4-ylmethyl)prop-2-enamide;N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)-2-(trifluoromethyl)pyrazole-3-carboxamide
CID 177014202
N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide;(E)-2-[[4-(oxetan-3-yl)piperazin-1-yl]methyl]-N-phenylbut-2-enamide
CID 177014124
(3R)-N-benzyl-2-methylidene-3-[methyl(oxetan-3-yl)amino]butanamide;N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)-4-(trifluoromethyl)pyrimidine-2-carboxamide
CID 177014745
N-[(4R,5S)-7-ethyl-4-[3-[[2-(morpholin-4-ylmethyl)prop-2-enoylamino]methyl]phenyl]-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-1-(2-fluoroethyl)pyrazole-3-carboxamide
CID 176758255
1-ethyl-N-[(4R)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide
CID 95384965
1-ethyl-N-[(4R)-1-pyridin-4-yl-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-3-carboxamide
CID 95384971
N-benzyl-2-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-methoxypropanamide;N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)-4-(trifluoromethyl)pyrimidine-2-carboxamide
CID 177014691

Frequently Asked Questions

What is the IUPAC name of 1-(cyanomethyl)-N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(cyanomethyl)-N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)pyrazole-3-carboxamide (CID 177014207) is 1-(cyanomethyl)-N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(cyanomethyl)-N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(cyanomethyl)-N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)pyrazole-3-carboxamide is CCN1C(=O)C(NC(=O)c2ccn(CC#N)n2)Cc2cnn(-c3ccccc3)c21.
What is the InChIKey of 1-(cyanomethyl)-N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)pyrazole-3-carboxamide?
The InChIKey is NBKUIWIBQXTQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O2/c1-2-26-19-14(13-22-27(19)15-6-4-3-5-7-15)12-17(20(26)29)23-18(28)16-8-10-25(24-16)11-9-21/h3-8,10,13,17H,2,11-12H2,1H3,(H,23,28).
What are the key properties of 1-(cyanomethyl)-N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)pyrazole-3-carboxamide?
1-(cyanomethyl)-N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)pyrazole-3-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyanomethyl)-N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 177014207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).