N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide

C18H21N5O2 — CID 165424880

IUPACN-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(N2CCCC2=O)cc1)c1n[nH]c2c1CCNC2
InChIInChI=1S/C18H21N5O2/c24-16-2-1-9-23(16)13-5-3-12(4-6-13)10-20-18(25)17-14-7-8-19-11-15(14)21-22-17/h3-6,19H,1-2,7-11H2,(H,20,25)(H,21,22)
InChIKeyUXMDCRYEUUNCHB-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.11
Rot. Bonds4

About N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide

N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 165424880) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID165424880
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(N2CCCC2=O)cc1)c1n[nH]c2c1CCNC2
InChIInChI=1S/C18H21N5O2/c24-16-2-1-9-23(16)13-5-3-12(4-6-13)10-20-18(25)17-14-7-8-19-11-15(14)21-22-17/h3-6,19H,1-2,7-11H2,(H,20,25)(H,21,22)
InChIKeyUXMDCRYEUUNCHB-UHFFFAOYSA-N
XLogP1.11
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
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N-benzyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;hydrochloride
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N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide (CID 165424880) is N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide is O=C(NCc1ccc(N2CCCC2=O)cc1)c1n[nH]c2c1CCNC2.
What is the InChIKey of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is UXMDCRYEUUNCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c24-16-2-1-9-23(16)13-5-3-12(4-6-13)10-20-18(25)17-14-7-8-19-11-15(14)21-22-17/h3-6,19H,1-2,7-11H2,(H,20,25)(H,21,22).
What are the key properties of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide?
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 165424880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).