N-[3-(difluoromethyl)-1-(4-ethylcyclohexyl)pyrazol-4-yl]-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,5-naphthyridine-4-carboxamide

C26H30F2N6O2 — CID 156523920

About N-[3-(difluoromethyl)-1-(4-ethylcyclohexyl)pyrazol-4-yl]-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,5-naphthyridine-4-carboxamide

N-[3-(difluoromethyl)-1-(4-ethylcyclohexyl)pyrazol-4-yl]-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,5-naphthyridine-4-carboxamide (PubChem CID 156523920) has the molecular formula C26H30F2N6O2 and a molecular weight of 496.56 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-(4-ethylcyclohexyl)pyrazol-4-yl]-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,5-naphthyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-(difluoromethyl)-1-(4-ethylcyclohexyl)pyrazol-4-yl]-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,5-naphthyridine-4-carboxamide
• PubChem CID: 156523920
• Molecular Formula: C26H30F2N6O2
• Molecular Weight: 496.56 g/mol
• Exact Mass: 496.24
• IUPAC Name: N-[3-(difluoromethyl)-1-(4-ethylcyclohexyl)pyrazol-4-yl]-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,5-naphthyridine-4-carboxamide
• SMILES: CCC1CCC(n2cc(NC(=O)c3ccnc4ccc(N5CC6CC5CO6)nc34)c(C(F)F)n2)CC1
• InChI: InChI=1S/C26H30F2N6O2/c1-2-15-3-5-16(6-4-15)34-13-21(24(32-34)25(27)28)30-26(35)19-9-10-29-20-7-8-22(31-23(19)20)33-12-18-11-17(33)14-36-18/h7-10,13,15-18,25H,2-6,11-12,14H2,1H3,(H,30,35)
• InChIKey: ZPGWYPHXJFGORL-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 85.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.56
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-1-(4-ethylcyclohexyl)pyrazol-4-yl]-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,5-naphthyridine-4-carboxamide?

The IUPAC name of N-[3-(difluoromethyl)-1-(4-ethylcyclohexyl)pyrazol-4-yl]-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,5-naphthyridine-4-carboxamide (CID 156523920) is N-[3-(difluoromethyl)-1-(4-ethylcyclohexyl)pyrazol-4-yl]-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,5-naphthyridine-4-carboxamide.

What is the SMILES notation for N-[3-(difluoromethyl)-1-(4-ethylcyclohexyl)pyrazol-4-yl]-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,5-naphthyridine-4-carboxamide?

The canonical SMILES for N-[3-(difluoromethyl)-1-(4-ethylcyclohexyl)pyrazol-4-yl]-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,5-naphthyridine-4-carboxamide is CCC1CCC(n2cc(NC(=O)c3ccnc4ccc(N5CC6CC5CO6)nc34)c(C(F)F)n2)CC1.

What is the InChIKey of N-[3-(difluoromethyl)-1-(4-ethylcyclohexyl)pyrazol-4-yl]-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,5-naphthyridine-4-carboxamide?

The InChIKey is ZPGWYPHXJFGORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N6O2/c1-2-15-3-5-16(6-4-15)34-13-21(24(32-34)25(27)28)30-26(35)19-9-10-29-20-7-8-22(31-23(19)20)33-12-18-11-17(33)14-36-18/h7-10,13,15-18,25H,2-6,11-12,14H2,1H3,(H,30,35).

What are the key properties of N-[3-(difluoromethyl)-1-(4-ethylcyclohexyl)pyrazol-4-yl]-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,5-naphthyridine-4-carboxamide?

N-[3-(difluoromethyl)-1-(4-ethylcyclohexyl)pyrazol-4-yl]-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,5-naphthyridine-4-carboxamide has a molecular weight of 496.56 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(difluoromethyl)-1-(4-ethylcyclohexyl)pyrazol-4-yl]-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,5-naphthyridine-4-carboxamide is sourced from PubChem (CID 156523920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).