N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-4-ylquinoline-4-carboxamide

C25H19N5O2 — CID 56552567

IUPACN-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCOc1ccccc1-c1cc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)n[nH]1
InChIInChI=1S/C25H19N5O2/c1-32-23-9-5-3-7-18(23)22-15-24(30-29-22)28-25(31)19-14-21(16-10-12-26-13-11-16)27-20-8-4-2-6-17(19)20/h2-15H,1H3,(H2,28,29,30,31)
InChIKeyCXRRTPRZVXNYNY-UHFFFAOYSA-N
MW421.46 g/mol
LogP4.95
Rot. Bonds5

About N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-4-ylquinoline-4-carboxamide

N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 56552567) has the molecular formula C25H19N5O2 and a molecular weight of 421.46 g/mol. Its IUPAC name is N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID56552567
Molecular FormulaC25H19N5O2
Molecular Weight421.46 g/mol
Exact Mass421.15
IUPAC NameN-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCOc1ccccc1-c1cc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)n[nH]1
InChIInChI=1S/C25H19N5O2/c1-32-23-9-5-3-7-18(23)22-15-24(30-29-22)28-25(31)19-14-21(16-10-12-26-13-11-16)27-20-8-4-2-6-17(19)20/h2-15H,1H3,(H2,28,29,30,31)
InChIKeyCXRRTPRZVXNYNY-UHFFFAOYSA-N
XLogP4.95
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylquinoline-4-carboxamide
CID 55646004
2-pyridin-4-yl-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide
CID 30865963
N-(1H-pyrazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 167753556
methyl 2-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]benzoate
CID 1012430
2-(2,5-dimethoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 1225611
N'-[2-(2-phenylphenoxy)acetyl]-2-pyridin-4-ylquinoline-4-carbohydrazide
CID 26796355
N-(5-chloro-2-pyridinyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 39753706
N-[2-[[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 56552544
1-[2-[4-(2-methoxyphenyl)phenyl]quinolin-4-yl]ethanone
CID 145465068
N'-(2-methoxybenzoyl)-2-phenylquinoline-4-carbohydrazide
CID 6734416
N-(3-fluoro-4-methoxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 55868418
N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 46655946

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-4-ylquinoline-4-carboxamide (CID 56552567) is N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-4-ylquinoline-4-carboxamide is COc1ccccc1-c1cc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)n[nH]1.
What is the InChIKey of N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is CXRRTPRZVXNYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O2/c1-32-23-9-5-3-7-18(23)22-15-24(30-29-22)28-25(31)19-14-21(16-10-12-26-13-11-16)27-20-8-4-2-6-17(19)20/h2-15H,1H3,(H2,28,29,30,31).
What are the key properties of N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-4-ylquinoline-4-carboxamide?
N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 421.46 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 56552567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).