N-(1-methylpiperidin-4-yl)-6-(4-pyrazol-1-ylbutanoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

C20H29N7O2 — CID 166618712

IUPACN-(1-methylpiperidin-4-yl)-6-(4-pyrazol-1-ylbutanoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCN1CCC(NC(=O)c2n[nH]c3c2CCN(C(=O)CCCn2cccn2)C3)CC1
InChIInChI=1S/C20H29N7O2/c1-25-11-5-15(6-12-25)22-20(29)19-16-7-13-26(14-17(16)23-24-19)18(28)4-2-9-27-10-3-8-21-27/h3,8,10,15H,2,4-7,9,11-14H2,1H3,(H,22,29)(H,23,24)
InChIKeyPHNVQILEQAWKGO-UHFFFAOYSA-N
MW399.50 g/mol
LogP0.80
Rot. Bonds6

About N-(1-methylpiperidin-4-yl)-6-(4-pyrazol-1-ylbutanoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

N-(1-methylpiperidin-4-yl)-6-(4-pyrazol-1-ylbutanoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 166618712) has the molecular formula C20H29N7O2 and a molecular weight of 399.50 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-6-(4-pyrazol-1-ylbutanoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-6-(4-pyrazol-1-ylbutanoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID166618712
Molecular FormulaC20H29N7O2
Molecular Weight399.50 g/mol
Exact Mass399.24
IUPAC NameN-(1-methylpiperidin-4-yl)-6-(4-pyrazol-1-ylbutanoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCN1CCC(NC(=O)c2n[nH]c3c2CCN(C(=O)CCCn2cccn2)C3)CC1
InChIInChI=1S/C20H29N7O2/c1-25-11-5-15(6-12-25)22-20(29)19-16-7-13-26(14-17(16)23-24-19)18(28)4-2-9-27-10-3-8-21-27/h3,8,10,15H,2,4-7,9,11-14H2,1H3,(H,22,29)(H,23,24)
InChIKeyPHNVQILEQAWKGO-UHFFFAOYSA-N
XLogP0.80
TPSA99.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

formic acid;N-(3-imidazol-1-ylpropyl)-6-(2-pyrazol-1-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 171710463
5-(3,5-difluorobenzoyl)-N-(1-methylpiperidin-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 91914468
1-(3-tert-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-pyrazol-1-ylpropan-1-one
CID 31054493
1-[3-(1,3-dihydroisoindole-2-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 166612764
N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(2-pyridin-4-ylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166614160
1-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-pyrazol-1-ylbutan-1-one
CID 131896896
N-cyclopropyl-5-[2-(2-fluorophenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 42874574
methyl 3-[[6-(2-cyclohexylacetyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbonyl]amino]propanoate
CID 166618223
(4aS,8aR)-4-methyl-6-(4-pyrazol-1-ylbutanoyl)-5,7,8,8a-tetrahydro-4aH-pyrido[4,3-b][1,4]oxazin-3-one
CID 110135706
1-(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-4-pyrazol-1-ylbutan-1-one
CID 70731465
1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one
CID 129427741
1-[3-(4-methyl-1,4-diazepane-1-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-pyridin-3-ylpropan-1-one
CID 166623256

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-6-(4-pyrazol-1-ylbutanoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-6-(4-pyrazol-1-ylbutanoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 166618712) is N-(1-methylpiperidin-4-yl)-6-(4-pyrazol-1-ylbutanoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-6-(4-pyrazol-1-ylbutanoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-6-(4-pyrazol-1-ylbutanoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is CN1CCC(NC(=O)c2n[nH]c3c2CCN(C(=O)CCCn2cccn2)C3)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-6-(4-pyrazol-1-ylbutanoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is PHNVQILEQAWKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O2/c1-25-11-5-15(6-12-25)22-20(29)19-16-7-13-26(14-17(16)23-24-19)18(28)4-2-9-27-10-3-8-21-27/h3,8,10,15H,2,4-7,9,11-14H2,1H3,(H,22,29)(H,23,24).
What are the key properties of N-(1-methylpiperidin-4-yl)-6-(4-pyrazol-1-ylbutanoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
N-(1-methylpiperidin-4-yl)-6-(4-pyrazol-1-ylbutanoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-6-(4-pyrazol-1-ylbutanoyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 166618712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).