N-[3-[(4aR,10bR)-6-ethyl-1,2,4,4a,5,10b-hexahydropyrano[3,4-c][1,8]naphthyridin-9-yl]-4-methylphenyl]-3-fluoro-2-(trifluoromethyl)pyridine-4-carboxamide

C27H26F4N4O2 — CID 129271926

IUPACN-[3-[(4aR,10bR)-6-ethyl-1,2,4,4a,5,10b-hexahydropyrano[3,4-c][1,8]naphthyridin-9-yl]-4-methylphenyl]-3-fluoro-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCCN1C[C@@H]2COCC[C@H]2c2cc(-c3cc(NC(=O)c4ccnc(C(F)(F)F)c4F)ccc3C)cnc21
InChIInChI=1S/C27H26F4N4O2/c1-3-35-13-17-14-37-9-7-19(17)22-10-16(12-33-25(22)35)21-11-18(5-4-15(21)2)34-26(36)20-6-8-32-24(23(20)28)27(29,30)31/h4-6,8,10-12,17,19H,3,7,9,13-14H2,1-2H3,(H,34,36)/t17-,19-/m1/s1
InChIKeyYQVZIBOFZWQXJA-IEBWSBKVSA-N
MW514.52 g/mol
LogP5.82
Rot. Bonds4

About N-[3-[(4aR,10bR)-6-ethyl-1,2,4,4a,5,10b-hexahydropyrano[3,4-c][1,8]naphthyridin-9-yl]-4-methylphenyl]-3-fluoro-2-(trifluoromethyl)pyridine-4-carboxamide

N-[3-[(4aR,10bR)-6-ethyl-1,2,4,4a,5,10b-hexahydropyrano[3,4-c][1,8]naphthyridin-9-yl]-4-methylphenyl]-3-fluoro-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 129271926) has the molecular formula C27H26F4N4O2 and a molecular weight of 514.52 g/mol. Its IUPAC name is N-[3-[(4aR,10bR)-6-ethyl-1,2,4,4a,5,10b-hexahydropyrano[3,4-c][1,8]naphthyridin-9-yl]-4-methylphenyl]-3-fluoro-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(4aR,10bR)-6-ethyl-1,2,4,4a,5,10b-hexahydropyrano[3,4-c][1,8]naphthyridin-9-yl]-4-methylphenyl]-3-fluoro-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID129271926
Molecular FormulaC27H26F4N4O2
Molecular Weight514.52 g/mol
Exact Mass514.20
IUPAC NameN-[3-[(4aR,10bR)-6-ethyl-1,2,4,4a,5,10b-hexahydropyrano[3,4-c][1,8]naphthyridin-9-yl]-4-methylphenyl]-3-fluoro-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCCN1C[C@@H]2COCC[C@H]2c2cc(-c3cc(NC(=O)c4ccnc(C(F)(F)F)c4F)ccc3C)cnc21
InChIInChI=1S/C27H26F4N4O2/c1-3-35-13-17-14-37-9-7-19(17)22-10-16(12-33-25(22)35)21-11-18(5-4-15(21)2)34-26(36)20-6-8-32-24(23(20)28)27(29,30)31/h4-6,8,10-12,17,19H,3,7,9,13-14H2,1-2H3,(H,34,36)/t17-,19-/m1/s1
InChIKeyYQVZIBOFZWQXJA-IEBWSBKVSA-N
XLogP5.82
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.52
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-[(4aR,10bR)-6-ethyl-1,2,4,4a,5,10b-hexahydropyrano[3,4-c][1,8]naphthyridin-9-yl]-4-methylphenyl]-3-fluoro-2-(trifluoromethyl)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4aR,10bR)-6-ethyl-1,2,4,4a,5,10b-hexahydropyrano[3,4-c][1,8]naphthyridin-9-yl]-4-methylphenyl]-3-fluoro-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[3-[(4aR,10bR)-6-ethyl-1,2,4,4a,5,10b-hexahydropyrano[3,4-c][1,8]naphthyridin-9-yl]-4-methylphenyl]-3-fluoro-2-(trifluoromethyl)pyridine-4-carboxamide (CID 129271926) is N-[3-[(4aR,10bR)-6-ethyl-1,2,4,4a,5,10b-hexahydropyrano[3,4-c][1,8]naphthyridin-9-yl]-4-methylphenyl]-3-fluoro-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[(4aR,10bR)-6-ethyl-1,2,4,4a,5,10b-hexahydropyrano[3,4-c][1,8]naphthyridin-9-yl]-4-methylphenyl]-3-fluoro-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[3-[(4aR,10bR)-6-ethyl-1,2,4,4a,5,10b-hexahydropyrano[3,4-c][1,8]naphthyridin-9-yl]-4-methylphenyl]-3-fluoro-2-(trifluoromethyl)pyridine-4-carboxamide is CCN1C[C@@H]2COCC[C@H]2c2cc(-c3cc(NC(=O)c4ccnc(C(F)(F)F)c4F)ccc3C)cnc21.
What is the InChIKey of N-[3-[(4aR,10bR)-6-ethyl-1,2,4,4a,5,10b-hexahydropyrano[3,4-c][1,8]naphthyridin-9-yl]-4-methylphenyl]-3-fluoro-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is YQVZIBOFZWQXJA-IEBWSBKVSA-N. The full InChI is InChI=1S/C27H26F4N4O2/c1-3-35-13-17-14-37-9-7-19(17)22-10-16(12-33-25(22)35)21-11-18(5-4-15(21)2)34-26(36)20-6-8-32-24(23(20)28)27(29,30)31/h4-6,8,10-12,17,19H,3,7,9,13-14H2,1-2H3,(H,34,36)/t17-,19-/m1/s1.
What are the key properties of N-[3-[(4aR,10bR)-6-ethyl-1,2,4,4a,5,10b-hexahydropyrano[3,4-c][1,8]naphthyridin-9-yl]-4-methylphenyl]-3-fluoro-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[3-[(4aR,10bR)-6-ethyl-1,2,4,4a,5,10b-hexahydropyrano[3,4-c][1,8]naphthyridin-9-yl]-4-methylphenyl]-3-fluoro-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 514.52 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4aR,10bR)-6-ethyl-1,2,4,4a,5,10b-hexahydropyrano[3,4-c][1,8]naphthyridin-9-yl]-4-methylphenyl]-3-fluoro-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 129271926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).