N-[1-cyclohexyl-3-(3,5-difluoro-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide

C23H21F2N7O — CID 142338646

IUPACN-[1-cyclohexyl-3-(3,5-difluoro-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESO=C(Nc1cn(C2CCCCC2)nc1-c1ncc(F)cc1F)c1cccc(-c2cn[nH]c2)n1
InChIInChI=1S/C23H21F2N7O/c24-15-9-17(25)21(26-12-15)22-20(13-32(31-22)16-5-2-1-3-6-16)30-23(33)19-8-4-7-18(29-19)14-10-27-28-11-14/h4,7-13,16H,1-3,5-6H2,(H,27,28)(H,30,33)
InChIKeyKNWYGTDHXSNMQF-UHFFFAOYSA-N
MW449.47 g/mol
LogP4.77
Rot. Bonds5

About N-[1-cyclohexyl-3-(3,5-difluoro-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide

N-[1-cyclohexyl-3-(3,5-difluoro-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 142338646) has the molecular formula C23H21F2N7O and a molecular weight of 449.47 g/mol. Its IUPAC name is N-[1-cyclohexyl-3-(3,5-difluoro-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-cyclohexyl-3-(3,5-difluoro-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
PubChem CID142338646
Molecular FormulaC23H21F2N7O
Molecular Weight449.47 g/mol
Exact Mass449.18
IUPAC NameN-[1-cyclohexyl-3-(3,5-difluoro-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESO=C(Nc1cn(C2CCCCC2)nc1-c1ncc(F)cc1F)c1cccc(-c2cn[nH]c2)n1
InChIInChI=1S/C23H21F2N7O/c24-15-9-17(25)21(26-12-15)22-20(13-32(31-22)16-5-2-1-3-6-16)30-23(33)19-8-4-7-18(29-19)14-10-27-28-11-14/h4,7-13,16H,1-3,5-6H2,(H,27,28)(H,30,33)
InChIKeyKNWYGTDHXSNMQF-UHFFFAOYSA-N
XLogP4.77
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-3-(3,5-difluoro-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[1-cyclohexyl-3-(3,5-difluoro-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide (CID 142338646) is N-[1-cyclohexyl-3-(3,5-difluoro-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-cyclohexyl-3-(3,5-difluoro-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[1-cyclohexyl-3-(3,5-difluoro-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide is O=C(Nc1cn(C2CCCCC2)nc1-c1ncc(F)cc1F)c1cccc(-c2cn[nH]c2)n1.
What is the InChIKey of N-[1-cyclohexyl-3-(3,5-difluoro-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is KNWYGTDHXSNMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N7O/c24-15-9-17(25)21(26-12-15)22-20(13-32(31-22)16-5-2-1-3-6-16)30-23(33)19-8-4-7-18(29-19)14-10-27-28-11-14/h4,7-13,16H,1-3,5-6H2,(H,27,28)(H,30,33).
What are the key properties of N-[1-cyclohexyl-3-(3,5-difluoro-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
N-[1-cyclohexyl-3-(3,5-difluoro-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 449.47 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-3-(3,5-difluoro-2-pyridinyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 142338646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).