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

C30H28ClFN4O4 — CID 177340341

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

N-[3-[2-chloro-3-[(7S)-1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-4-fluoro-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 177340341) has the molecular formula C30H28ClFN4O4 and a molecular weight of 563.03 g/mol. Its IUPAC name is N-[3-[2-chloro-3-[(7S)-1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-4-fluoro-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[3-[2-chloro-3-[(7S)-1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-4-fluoro-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
• PubChem CID: 177340341
• Molecular Formula: C30H28ClFN4O4
• Molecular Weight: 563.03 g/mol
• Exact Mass: 562.18
• IUPAC Name: N-[3-[2-chloro-3-[(7S)-1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-4-fluoro-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
• SMILES: COc1nc(-c2cccc(-c3c(F)ccc(NC(=O)c4cn(C)c(=O)n(C)c4=O)c3C)c2Cl)cc2c1[C@@H](C)CC2
• InChI: InChI=1S/C30H28ClFN4O4/c1-15-9-10-17-13-23(34-28(40-5)24(15)17)18-7-6-8-19(26(18)31)25-16(2)22(12-11-21(25)32)33-27(37)20-14-35(3)30(39)36(4)29(20)38/h6-8,11-15H,9-10H2,1-5H3,(H,33,37)/t15-/m0/s1
• InChIKey: XLSWWRXYZOYONQ-HNNXBMFYSA-N
• XLogP: 5.22
• TPSA: 95.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.03
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[3-[2-chloro-3-[(7S)-1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-4-fluoro-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide (CID 177340341) is N-[3-[2-chloro-3-[(7S)-1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-4-fluoro-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide.

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

The canonical SMILES for N-[3-[2-chloro-3-[(7S)-1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-4-fluoro-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide is COc1nc(-c2cccc(-c3c(F)ccc(NC(=O)c4cn(C)c(=O)n(C)c4=O)c3C)c2Cl)cc2c1[C@@H](C)CC2.

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

The InChIKey is XLSWWRXYZOYONQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C30H28ClFN4O4/c1-15-9-10-17-13-23(34-28(40-5)24(15)17)18-7-6-8-19(26(18)31)25-16(2)22(12-11-21(25)32)33-27(37)20-14-35(3)30(39)36(4)29(20)38/h6-8,11-15H,9-10H2,1-5H3,(H,33,37)/t15-/m0/s1.

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

N-[3-[2-chloro-3-[(7S)-1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-4-fluoro-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 563.03 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-chloro-3-[(7S)-1-methoxy-7-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-4-fluoro-2-methylphenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 177340341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).