N-[3-(azetidin-2-yl)-1-phenylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide

C21H19N7O — CID 176705935

IUPACN-[3-(azetidin-2-yl)-1-phenylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
SMILESO=C(Nc1cn(-c2ccccc2)nc1C1CCN1)c1cccc(-c2ccn[nH]2)n1
InChIInChI=1S/C21H19N7O/c29-21(18-8-4-7-15(24-18)16-10-12-23-26-16)25-19-13-28(14-5-2-1-3-6-14)27-20(19)17-9-11-22-17/h1-8,10,12-13,17,22H,9,11H2,(H,23,26)(H,25,29)
InChIKeyAVDLGXKTWBRKKH-UHFFFAOYSA-N
MW385.43 g/mol
LogP2.94
Rot. Bonds5

About N-[3-(azetidin-2-yl)-1-phenylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide

N-[3-(azetidin-2-yl)-1-phenylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide (PubChem CID 176705935) has the molecular formula C21H19N7O and a molecular weight of 385.43 g/mol. Its IUPAC name is N-[3-(azetidin-2-yl)-1-phenylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(azetidin-2-yl)-1-phenylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
PubChem CID176705935
Molecular FormulaC21H19N7O
Molecular Weight385.43 g/mol
Exact Mass385.17
IUPAC NameN-[3-(azetidin-2-yl)-1-phenylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
SMILESO=C(Nc1cn(-c2ccccc2)nc1C1CCN1)c1cccc(-c2ccn[nH]2)n1
InChIInChI=1S/C21H19N7O/c29-21(18-8-4-7-15(24-18)16-10-12-23-26-16)25-19-13-28(14-5-2-1-3-6-14)27-20(19)17-9-11-22-17/h1-8,10,12-13,17,22H,9,11H2,(H,23,26)(H,25,29)
InChIKeyAVDLGXKTWBRKKH-UHFFFAOYSA-N
XLogP2.94
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-phenyl-3-(propan-2-ylcarbamoyl)pyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 176705832
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-[4-[4-[4-(prop-2-enoylamino)phenyl]triazol-1-yl]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 134557571
N-[3-[4-(1-prop-2-enoylpiperidin-3-yl)triazol-1-yl]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 134557540
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-[3-[(1-methylpiperidine-3-carbonyl)amino]phenyl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 134557557
N-(3-amino-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 176705983
N-(3-ethoxy-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 176705662
N-(4-carbamoylphenyl)-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-cyclohexylprop-2-enamide
CID 142361942
N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine-2-carboxamide
CID 134452889

Frequently Asked Questions

What is the IUPAC name of N-[3-(azetidin-2-yl)-1-phenylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide?
The IUPAC name of N-[3-(azetidin-2-yl)-1-phenylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide (CID 176705935) is N-[3-(azetidin-2-yl)-1-phenylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(azetidin-2-yl)-1-phenylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-(azetidin-2-yl)-1-phenylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide is O=C(Nc1cn(-c2ccccc2)nc1C1CCN1)c1cccc(-c2ccn[nH]2)n1.
What is the InChIKey of N-[3-(azetidin-2-yl)-1-phenylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide?
The InChIKey is AVDLGXKTWBRKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O/c29-21(18-8-4-7-15(24-18)16-10-12-23-26-16)25-19-13-28(14-5-2-1-3-6-14)27-20(19)17-9-11-22-17/h1-8,10,12-13,17,22H,9,11H2,(H,23,26)(H,25,29).
What are the key properties of N-[3-(azetidin-2-yl)-1-phenylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide?
N-[3-(azetidin-2-yl)-1-phenylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide has a molecular weight of 385.43 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azetidin-2-yl)-1-phenylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 176705935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).