1-[4-(2-oxo-1-pyridinyl)phenyl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

C18H17N5O2 — CID 142666920

IUPAC1-[4-(2-oxo-1-pyridinyl)phenyl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(-n3ccccc3=O)cc2)c2c1CCNC2
InChIInChI=1S/C18H17N5O2/c19-18(25)17-14-8-9-20-11-15(14)23(21-17)13-6-4-12(5-7-13)22-10-2-1-3-16(22)24/h1-7,10,20H,8-9,11H2,(H2,19,25)
InChIKeyXUCGDGMIBGEIKE-UHFFFAOYSA-N
MW335.37 g/mol
LogP0.77
Rot. Bonds3

About 1-[4-(2-oxo-1-pyridinyl)phenyl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

1-[4-(2-oxo-1-pyridinyl)phenyl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 142666920) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 1-[4-(2-oxo-1-pyridinyl)phenyl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(2-oxo-1-pyridinyl)phenyl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID142666920
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name1-[4-(2-oxo-1-pyridinyl)phenyl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(-n3ccccc3=O)cc2)c2c1CCNC2
InChIInChI=1S/C18H17N5O2/c19-18(25)17-14-8-9-20-11-15(14)23(21-17)13-6-4-12(5-7-13)22-10-2-1-3-16(22)24/h1-7,10,20H,8-9,11H2,(H2,19,25)
InChIKeyXUCGDGMIBGEIKE-UHFFFAOYSA-N
XLogP0.77
TPSA94.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-oxo-1-pyridinyl)phenyl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-[4-(2-oxo-1-pyridinyl)phenyl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 142666920) is 1-[4-(2-oxo-1-pyridinyl)phenyl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-[4-(2-oxo-1-pyridinyl)phenyl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-[4-(2-oxo-1-pyridinyl)phenyl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is NC(=O)c1nn(-c2ccc(-n3ccccc3=O)cc2)c2c1CCNC2.
What is the InChIKey of 1-[4-(2-oxo-1-pyridinyl)phenyl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is XUCGDGMIBGEIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c19-18(25)17-14-8-9-20-11-15(14)23(21-17)13-6-4-12(5-7-13)22-10-2-1-3-16(22)24/h1-7,10,20H,8-9,11H2,(H2,19,25).
What are the key properties of 1-[4-(2-oxo-1-pyridinyl)phenyl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
1-[4-(2-oxo-1-pyridinyl)phenyl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-oxo-1-pyridinyl)phenyl]-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 142666920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).