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

C25H25F2N7O2 — CID 134450350

IUPACN-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESCCOC1CCC(n2cc(NC(=O)c3cccc(-c4cn[nH]c4)n3)c(-c3ncc(F)cc3F)n2)CC1
InChIInChI=1S/C25H25F2N7O2/c1-2-36-18-8-6-17(7-9-18)34-14-22(24(33-34)23-19(27)10-16(26)13-28-23)32-25(35)21-5-3-4-20(31-21)15-11-29-30-12-15/h3-5,10-14,17-18H,2,6-9H2,1H3,(H,29,30)(H,32,35)
InChIKeyOQTYDUMEGJREGR-UHFFFAOYSA-N
MW493.52 g/mol
LogP4.78
Rot. Bonds7

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

N-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 134450350) has the molecular formula C25H25F2N7O2 and a molecular weight of 493.52 g/mol. Its IUPAC name is N-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
PubChem CID134450350
Molecular FormulaC25H25F2N7O2
Molecular Weight493.52 g/mol
Exact Mass493.20
IUPAC NameN-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
SMILESCCOC1CCC(n2cc(NC(=O)c3cccc(-c4cn[nH]c4)n3)c(-c3ncc(F)cc3F)n2)CC1
InChIInChI=1S/C25H25F2N7O2/c1-2-36-18-8-6-17(7-9-18)34-14-22(24(33-34)23-19(27)10-16(26)13-28-23)32-25(35)21-5-3-4-20(31-21)15-11-29-30-12-15/h3-5,10-14,17-18H,2,6-9H2,1H3,(H,29,30)(H,32,35)
InChIKeyOQTYDUMEGJREGR-UHFFFAOYSA-N
XLogP4.78
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.52
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide (CID 134450350) is N-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide is CCOC1CCC(n2cc(NC(=O)c3cccc(-c4cn[nH]c4)n3)c(-c3ncc(F)cc3F)n2)CC1.
What is the InChIKey of N-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is OQTYDUMEGJREGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N7O2/c1-2-36-18-8-6-17(7-9-18)34-14-22(24(33-34)23-19(27)10-16(26)13-28-23)32-25(35)21-5-3-4-20(31-21)15-11-29-30-12-15/h3-5,10-14,17-18H,2,6-9H2,1H3,(H,29,30)(H,32,35).
What are the key properties of N-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide?
N-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 493.52 g/mol, XLogP of 4.78, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 134450350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).