formic acid;6-[(3R)-4-methylmorpholine-3-carbonyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

C20H27N7O5 — CID 171322695

IUPACformic acid;6-[(3R)-4-methylmorpholine-3-carbonyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCc1cnc(CNC(=O)c2n[nH]c3c2CCN(C(=O)[C@H]2COCCN2C)C3)cn1.O=CO
InChIInChI=1S/C19H25N7O3.CH2O2/c1-12-7-21-13(8-20-12)9-22-18(27)17-14-3-4-26(10-15(14)23-24-17)19(28)16-11-29-6-5-25(16)2;2-1-3/h7-8,16H,3-6,9-11H2,1-2H3,(H,22,27)(H,23,24);1H,(H,2,3)/t16-;/m1./s1
InChIKeyOCIIQYUFZZUUOV-PKLMIRHRSA-N
MW445.48 g/mol
LogP-0.65
Rot. Bonds4

About formic acid;6-[(3R)-4-methylmorpholine-3-carbonyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

formic acid;6-[(3R)-4-methylmorpholine-3-carbonyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 171322695) has the molecular formula C20H27N7O5 and a molecular weight of 445.48 g/mol. Its IUPAC name is formic acid;6-[(3R)-4-methylmorpholine-3-carbonyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Nameformic acid;6-[(3R)-4-methylmorpholine-3-carbonyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID171322695
Molecular FormulaC20H27N7O5
Molecular Weight445.48 g/mol
Exact Mass445.21
IUPAC Nameformic acid;6-[(3R)-4-methylmorpholine-3-carbonyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCc1cnc(CNC(=O)c2n[nH]c3c2CCN(C(=O)[C@H]2COCCN2C)C3)cn1.O=CO
InChIInChI=1S/C19H25N7O3.CH2O2/c1-12-7-21-13(8-20-12)9-22-18(27)17-14-3-4-26(10-15(14)23-24-17)19(28)16-11-29-6-5-25(16)2;2-1-3/h7-8,16H,3-6,9-11H2,1-2H3,(H,22,27)(H,23,24);1H,(H,2,3)/t16-;/m1./s1
InChIKeyOCIIQYUFZZUUOV-PKLMIRHRSA-N
XLogP-0.65
TPSA153.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

formic acid;N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 171709657
6-(2-cyclopentylacetyl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166623423
6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-pyridin-2-ylethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide;formic acid
CID 171322096
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-6-(2-methyl-1,3-thiazole-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166621788
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(2-ethylsulfanylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166624470
N-methyl-6-[(2S)-1-methylpyrrolidine-2-carbonyl]-N-(2-pyridin-2-ylethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166615358
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(4-methyl-1,3-oxazole-5-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166618296
tert-butyl 3-(furan-2-ylmethylcarbamoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
CID 84576117
N-(2-morpholin-4-ylethyl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
CID 75489591
1-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide
CID 72868991
N-[2-(3-fluorophenyl)ethyl]-6-(5-methyl-1,2-oxazole-3-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide;formic acid
CID 171322122
N-[(2-chlorophenyl)methyl]-6-(2-ethoxyacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166619239

Frequently Asked Questions

What is the IUPAC name of formic acid;6-[(3R)-4-methylmorpholine-3-carbonyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of formic acid;6-[(3R)-4-methylmorpholine-3-carbonyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 171322695) is formic acid;6-[(3R)-4-methylmorpholine-3-carbonyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for formic acid;6-[(3R)-4-methylmorpholine-3-carbonyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for formic acid;6-[(3R)-4-methylmorpholine-3-carbonyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is Cc1cnc(CNC(=O)c2n[nH]c3c2CCN(C(=O)[C@H]2COCCN2C)C3)cn1.O=CO.
What is the InChIKey of formic acid;6-[(3R)-4-methylmorpholine-3-carbonyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is OCIIQYUFZZUUOV-PKLMIRHRSA-N. The full InChI is InChI=1S/C19H25N7O3.CH2O2/c1-12-7-21-13(8-20-12)9-22-18(27)17-14-3-4-26(10-15(14)23-24-17)19(28)16-11-29-6-5-25(16)2;2-1-3/h7-8,16H,3-6,9-11H2,1-2H3,(H,22,27)(H,23,24);1H,(H,2,3)/t16-;/m1./s1.
What are the key properties of formic acid;6-[(3R)-4-methylmorpholine-3-carbonyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
formic acid;6-[(3R)-4-methylmorpholine-3-carbonyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 445.48 g/mol, XLogP of -0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;6-[(3R)-4-methylmorpholine-3-carbonyl]-N-[(5-methylpyrazin-2-yl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 171322695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).