N-[3-[2-chloro-3-[(7S)-1-methoxy-7-[[(2R)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-fluorophenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide

C33H32ClFN6O5 — CID 167337989

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

N-[3-[2-chloro-3-[(7S)-1-methoxy-7-[[(2R)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-fluorophenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 167337989) has the molecular formula C33H32ClFN6O5 and a molecular weight of 647.11 g/mol. Its IUPAC name is N-[3-[2-chloro-3-[(7S)-1-methoxy-7-[[(2R)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-fluorophenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[3-[2-chloro-3-[(7S)-1-methoxy-7-[[(2R)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-fluorophenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
• PubChem CID: 167337989
• Molecular Formula: C33H32ClFN6O5
• Molecular Weight: 647.11 g/mol
• Exact Mass: 646.21
• IUPAC Name: N-[3-[2-chloro-3-[(7S)-1-methoxy-7-[[(2R)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-fluorophenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
• SMILES: COc1nc(-c2cccc(-c3cccc(NC(=O)c4cn(C)c(=O)n(C)c4=O)c3F)c2Cl)cc2c1[C@@H](NC[C@H]1CCC(=O)N1)CC2
• InChI: InChI=1S/C33H32ClFN6O5/c1-40-16-22(32(44)41(2)33(40)45)30(43)38-24-9-5-7-20(29(24)35)19-6-4-8-21(28(19)34)25-14-17-10-12-23(27(17)31(39-25)46-3)36-15-18-11-13-26(42)37-18/h4-9,14,16,18,23,36H,10-13,15H2,1-3H3,(H,37,42)(H,38,43)/t18-,23+/m1/s1
• InChIKey: WJLHPJGNIDEWQE-JPYJTQIMSA-N
• XLogP: 3.72
• TPSA: 136.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	647.11
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[3-[2-chloro-3-[(7S)-1-methoxy-7-[[(2R)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-fluorophenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide (CID 167337989) is N-[3-[2-chloro-3-[(7S)-1-methoxy-7-[[(2R)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-fluorophenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide.

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

The canonical SMILES for N-[3-[2-chloro-3-[(7S)-1-methoxy-7-[[(2R)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-fluorophenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide is COc1nc(-c2cccc(-c3cccc(NC(=O)c4cn(C)c(=O)n(C)c4=O)c3F)c2Cl)cc2c1[C@@H](NC[C@H]1CCC(=O)N1)CC2.

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

The InChIKey is WJLHPJGNIDEWQE-JPYJTQIMSA-N. The full InChI is InChI=1S/C33H32ClFN6O5/c1-40-16-22(32(44)41(2)33(40)45)30(43)38-24-9-5-7-20(29(24)35)19-6-4-8-21(28(19)34)25-14-17-10-12-23(27(17)31(39-25)46-3)36-15-18-11-13-26(42)37-18/h4-9,14,16,18,23,36H,10-13,15H2,1-3H3,(H,37,42)(H,38,43)/t18-,23+/m1/s1.

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

N-[3-[2-chloro-3-[(7S)-1-methoxy-7-[[(2R)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-fluorophenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 647.11 g/mol, XLogP of 3.72, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-chloro-3-[(7S)-1-methoxy-7-[[(2R)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]-2-fluorophenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 167337989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).