N-[3-[2-chloro-6-fluoro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide;4-ethyl-4-(3-methylpentyl)-1,3-diazinan-2-one

C42H52ClFN6O5 — CID 177340698

About N-[3-[2-chloro-6-fluoro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide;4-ethyl-4-(3-methylpentyl)-1,3-diazinan-2-one

N-[3-[2-chloro-6-fluoro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide;4-ethyl-4-(3-methylpentyl)-1,3-diazinan-2-one (PubChem CID 177340698) has the molecular formula C42H52ClFN6O5 and a molecular weight of 775.37 g/mol. Its IUPAC name is N-[3-[2-chloro-6-fluoro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide;4-ethyl-4-(3-methylpentyl)-1,3-diazinan-2-one.

Molecular Properties

• Compound Name: N-[3-[2-chloro-6-fluoro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide;4-ethyl-4-(3-methylpentyl)-1,3-diazinan-2-one
• PubChem CID: 177340698
• Molecular Formula: C42H52ClFN6O5
• Molecular Weight: 775.37 g/mol
• Exact Mass: 774.37
• IUPAC Name: N-[3-[2-chloro-6-fluoro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide;4-ethyl-4-(3-methylpentyl)-1,3-diazinan-2-one
• SMILES: CCC(C)CCC1(CC)CCNC(=O)N1.COc1nc(-c2ccc(F)c(-c3cccc(NC(=O)c4cn(C)c(=O)n(C)c4=O)c3C)c2Cl)cc2c1C(C)CC2
• InChI: InChI=1S/C30H28ClFN4O4.C12H24N2O/c1-15-9-10-17-13-23(34-28(40-5)24(15)17)19-11-12-21(32)25(26(19)31)18-7-6-8-22(16(18)2)33-27(37)20-14-35(3)30(39)36(4)29(20)38;1-4-10(3)6-7-12(5-2)8-9-13-11(15)14-12/h6-8,11-15H,9-10H2,1-5H3,(H,33,37);10H,4-9H2,1-3H3,(H2,13,14,15)
• InChIKey: HFKFUMOCGVTALE-UHFFFAOYSA-N
• XLogP: 7.89
• TPSA: 136.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	775.37
LogP ≤ 5	7.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-chloro-6-fluoro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide;4-ethyl-4-(3-methylpentyl)-1,3-diazinan-2-one?

The IUPAC name of N-[3-[2-chloro-6-fluoro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide;4-ethyl-4-(3-methylpentyl)-1,3-diazinan-2-one (CID 177340698) is N-[3-[2-chloro-6-fluoro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide;4-ethyl-4-(3-methylpentyl)-1,3-diazinan-2-one.

What is the SMILES notation for N-[3-[2-chloro-6-fluoro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide;4-ethyl-4-(3-methylpentyl)-1,3-diazinan-2-one?

The canonical SMILES for N-[3-[2-chloro-6-fluoro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide;4-ethyl-4-(3-methylpentyl)-1,3-diazinan-2-one is CCC(C)CCC1(CC)CCNC(=O)N1.COc1nc(-c2ccc(F)c(-c3cccc(NC(=O)c4cn(C)c(=O)n(C)c4=O)c3C)c2Cl)cc2c1C(C)CC2.

What is the InChIKey of N-[3-[2-chloro-6-fluoro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide;4-ethyl-4-(3-methylpentyl)-1,3-diazinan-2-one?

The InChIKey is HFKFUMOCGVTALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClFN4O4.C12H24N2O/c1-15-9-10-17-13-23(34-28(40-5)24(15)17)19-11-12-21(32)25(26(19)31)18-7-6-8-22(16(18)2)33-27(37)20-14-35(3)30(39)36(4)29(20)38;1-4-10(3)6-7-12(5-2)8-9-13-11(15)14-12/h6-8,11-15H,9-10H2,1-5H3,(H,33,37);10H,4-9H2,1-3H3,(H2,13,14,15).

What are the key properties of N-[3-[2-chloro-6-fluoro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide;4-ethyl-4-(3-methylpentyl)-1,3-diazinan-2-one?

N-[3-[2-chloro-6-fluoro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide;4-ethyl-4-(3-methylpentyl)-1,3-diazinan-2-one has a molecular weight of 775.37 g/mol, XLogP of 7.89, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-chloro-6-fluoro-3-(1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)phenyl]-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide;4-ethyl-4-(3-methylpentyl)-1,3-diazinan-2-one is sourced from PubChem (CID 177340698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).