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

C34H34Cl2N6O6 — CID 167337974

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

N-[2-chloro-3-[2-chloro-3-[(6R,7R)-1,6-dimethoxy-7-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 167337974) has the molecular formula C34H34Cl2N6O6 and a molecular weight of 693.59 g/mol. Its IUPAC name is N-[2-chloro-3-[2-chloro-3-[(6R,7R)-1,6-dimethoxy-7-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-chloro-3-[2-chloro-3-[(6R,7R)-1,6-dimethoxy-7-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
• PubChem CID: 167337974
• Molecular Formula: C34H34Cl2N6O6
• Molecular Weight: 693.59 g/mol
• Exact Mass: 692.19
• IUPAC Name: N-[2-chloro-3-[2-chloro-3-[(6R,7R)-1,6-dimethoxy-7-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
• SMILES: COc1nc(-c2cccc(-c3cccc(NC(=O)c4cn(C)c(=O)n(C)c4=O)c3Cl)c2Cl)cc2c1[C@@H](NC[C@@H]1CCC(=O)N1)[C@H](OC)C2
• InChI: InChI=1S/C34H34Cl2N6O6/c1-41-16-22(33(45)42(2)34(41)46)31(44)39-23-10-6-8-20(29(23)36)19-7-5-9-21(28(19)35)24-13-17-14-25(47-3)30(27(17)32(40-24)48-4)37-15-18-11-12-26(43)38-18/h5-10,13,16,18,25,30,37H,11-12,14-15H2,1-4H3,(H,38,43)(H,39,44)/t18-,25+,30-/m0/s1
• InChIKey: VLKGLIDDCUFSLN-JXSGYFDNSA-N
• XLogP: 3.86
• TPSA: 145.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	693.59
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-[2-chloro-3-[2-chloro-3-[(6R,7R)-1,6-dimethoxy-7-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide (CID 167337974) is N-[2-chloro-3-[2-chloro-3-[(6R,7R)-1,6-dimethoxy-7-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide.

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

The canonical SMILES for N-[2-chloro-3-[2-chloro-3-[(6R,7R)-1,6-dimethoxy-7-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide is COc1nc(-c2cccc(-c3cccc(NC(=O)c4cn(C)c(=O)n(C)c4=O)c3Cl)c2Cl)cc2c1[C@@H](NC[C@@H]1CCC(=O)N1)[C@H](OC)C2.

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

The InChIKey is VLKGLIDDCUFSLN-JXSGYFDNSA-N. The full InChI is InChI=1S/C34H34Cl2N6O6/c1-41-16-22(33(45)42(2)34(41)46)31(44)39-23-10-6-8-20(29(23)36)19-7-5-9-21(28(19)35)24-13-17-14-25(47-3)30(27(17)32(40-24)48-4)37-15-18-11-12-26(43)38-18/h5-10,13,16,18,25,30,37H,11-12,14-15H2,1-4H3,(H,38,43)(H,39,44)/t18-,25+,30-/m0/s1.

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

N-[2-chloro-3-[2-chloro-3-[(6R,7R)-1,6-dimethoxy-7-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 693.59 g/mol, XLogP of 3.86, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-3-[2-chloro-3-[(6R,7R)-1,6-dimethoxy-7-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]phenyl]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 167337974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).