(4R)-4-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide

C12H15N7O2 — CID 136737606

IUPAC(4R)-4-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide
SMILESCCn1ncnc1[C@@H]1CC(=O)Nc2n[nH]c(C(=O)NC)c21
InChIInChI=1S/C12H15N7O2/c1-3-19-11(14-5-15-19)6-4-7(20)16-10-8(6)9(17-18-10)12(21)13-2/h5-6H,3-4H2,1-2H3,(H,13,21)(H2,16,17,18,20)/t6-/m1/s1
InChIKeyNTVCCBKVFYUKRK-ZCFIWIBFSA-N
MW289.30 g/mol
LogP-0.15
Rot. Bonds3

About (4R)-4-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide

(4R)-4-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide (PubChem CID 136737606) has the molecular formula C12H15N7O2 and a molecular weight of 289.30 g/mol. Its IUPAC name is (4R)-4-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name(4R)-4-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide
PubChem CID136737606
Molecular FormulaC12H15N7O2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name(4R)-4-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide
SMILESCCn1ncnc1[C@@H]1CC(=O)Nc2n[nH]c(C(=O)NC)c21
InChIInChI=1S/C12H15N7O2/c1-3-19-11(14-5-15-19)6-4-7(20)16-10-8(6)9(17-18-10)12(21)13-2/h5-6H,3-4H2,1-2H3,(H,13,21)(H2,16,17,18,20)/t6-/m1/s1
InChIKeyNTVCCBKVFYUKRK-ZCFIWIBFSA-N
XLogP-0.15
TPSA117.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (4R)-4-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide with MolForge

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Related Compounds

N-methyl-4-(2-methylpyrimidin-5-yl)-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide
CID 169421239
(4R)-N-methyl-4-(2-methylsulfanylethyl)-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide
CID 136698010
N-methyl-6-oxo-4-pyridin-3-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide
CID 169421888
N-[4-(2-ethyl-1,2,4-triazol-3-yl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl]propanamide
CID 50982799
(4S)-N-methyl-6-oxo-4-(2-phenylethyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide
CID 136907585
(4S)-N-methyl-6-oxo-4-[(E)-1-phenylprop-1-en-2-yl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide
CID 136820793
N-[4-(2-ethyl-1,2,4-triazol-3-yl)-6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-2-methylpropanamide
CID 50969841
(4R)-4-(2-ethyl-1,2,4-triazol-3-yl)-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136737610
(8S)-8-(2-ethyl-1,2,4-triazol-3-yl)-2-morpholin-4-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-c]azepin-6-one
CID 95135454
methyl (4S)-4-(5-chloro-1,3-dimethylpyrazol-4-yl)-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxylate
CID 136713812
(4R)-4-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxylic acid
CID 136713831
formic acid;methyl 4-(4-morpholin-4-ylphenyl)-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxylate
CID 171340043

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide?
The IUPAC name of (4R)-4-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide (CID 136737606) is (4R)-4-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide.
What is the SMILES notation for (4R)-4-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide?
The canonical SMILES for (4R)-4-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide is CCn1ncnc1[C@@H]1CC(=O)Nc2n[nH]c(C(=O)NC)c21.
What is the InChIKey of (4R)-4-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide?
The InChIKey is NTVCCBKVFYUKRK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C12H15N7O2/c1-3-19-11(14-5-15-19)6-4-7(20)16-10-8(6)9(17-18-10)12(21)13-2/h5-6H,3-4H2,1-2H3,(H,13,21)(H2,16,17,18,20)/t6-/m1/s1.
What are the key properties of (4R)-4-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide?
(4R)-4-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide has a molecular weight of 289.30 g/mol, XLogP of -0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-6-oxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 136737606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).