N-[1-phenyl-3-(propan-2-ylcarbamoyl)pyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide

C22H21N7O2 — CID 176705832

IUPACN-[1-phenyl-3-(propan-2-ylcarbamoyl)pyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
SMILESCC(C)NC(=O)c1nn(-c2ccccc2)cc1NC(=O)c1cccc(-c2ccn[nH]2)n1
InChIInChI=1S/C22H21N7O2/c1-14(2)24-22(31)20-19(13-29(28-20)15-7-4-3-5-8-15)26-21(30)18-10-6-9-16(25-18)17-11-12-23-27-17/h3-14H,1-2H3,(H,23,27)(H,24,31)(H,26,30)
InChIKeyWAGVYTNPKVQDSU-UHFFFAOYSA-N
MW415.46 g/mol
LogP3.05
Rot. Bonds6

About N-[1-phenyl-3-(propan-2-ylcarbamoyl)pyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide

N-[1-phenyl-3-(propan-2-ylcarbamoyl)pyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide (PubChem CID 176705832) has the molecular formula C22H21N7O2 and a molecular weight of 415.46 g/mol. Its IUPAC name is N-[1-phenyl-3-(propan-2-ylcarbamoyl)pyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-phenyl-3-(propan-2-ylcarbamoyl)pyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
PubChem CID176705832
Molecular FormulaC22H21N7O2
Molecular Weight415.46 g/mol
Exact Mass415.18
IUPAC NameN-[1-phenyl-3-(propan-2-ylcarbamoyl)pyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
SMILESCC(C)NC(=O)c1nn(-c2ccccc2)cc1NC(=O)c1cccc(-c2ccn[nH]2)n1
InChIInChI=1S/C22H21N7O2/c1-14(2)24-22(31)20-19(13-29(28-20)15-7-4-3-5-8-15)26-21(30)18-10-6-9-16(25-18)17-11-12-23-27-17/h3-14H,1-2H3,(H,23,27)(H,24,31)(H,26,30)
InChIKeyWAGVYTNPKVQDSU-UHFFFAOYSA-N
XLogP3.05
TPSA117.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(azetidin-2-yl)-1-phenylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 176705935
N-[3-(cyclopropylcarbamoyl)-1-pyridin-3-ylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 176705477
N-(3-carbamoyl-1-phenylpyrazol-4-yl)-6-(1H-1,2,4-triazol-5-yl)pyridine-2-carboxamide
CID 176705792
N-[3-(methylamino)phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 167310947
1-phenyl-N-(1H-pyrazol-5-yl)pyrazole-3-carboxamide
CID 60579971
N-[4-[4-[4-(prop-2-enoylamino)phenyl]triazol-1-yl]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 134557571
6-N-propan-2-yl-2-N-(2-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide
CID 109093744
N-[3-[(1-methylpiperidine-3-carbonyl)amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 134557557
N-[4-fluoro-2-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 55834776
2-N-(2-bromophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093772
N-(3-ethoxy-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 176705662
N-(3-amino-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 176705983

Frequently Asked Questions

What is the IUPAC name of N-[1-phenyl-3-(propan-2-ylcarbamoyl)pyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide?
The IUPAC name of N-[1-phenyl-3-(propan-2-ylcarbamoyl)pyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide (CID 176705832) is N-[1-phenyl-3-(propan-2-ylcarbamoyl)pyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-phenyl-3-(propan-2-ylcarbamoyl)pyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[1-phenyl-3-(propan-2-ylcarbamoyl)pyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide is CC(C)NC(=O)c1nn(-c2ccccc2)cc1NC(=O)c1cccc(-c2ccn[nH]2)n1.
What is the InChIKey of N-[1-phenyl-3-(propan-2-ylcarbamoyl)pyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide?
The InChIKey is WAGVYTNPKVQDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O2/c1-14(2)24-22(31)20-19(13-29(28-20)15-7-4-3-5-8-15)26-21(30)18-10-6-9-16(25-18)17-11-12-23-27-17/h3-14H,1-2H3,(H,23,27)(H,24,31)(H,26,30).
What are the key properties of N-[1-phenyl-3-(propan-2-ylcarbamoyl)pyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide?
N-[1-phenyl-3-(propan-2-ylcarbamoyl)pyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide has a molecular weight of 415.46 g/mol, XLogP of 3.05, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-phenyl-3-(propan-2-ylcarbamoyl)pyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 176705832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).