N-[2-chloro-3-[2-chloro-3-[(6R,7R)-6-hydroxy-1-methoxy-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

C33H32Cl2N6O6 — CID 167338249

About N-[2-chloro-3-[2-chloro-3-[(6R,7R)-6-hydroxy-1-methoxy-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)-6-hydroxy-1-methoxy-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 167338249) has the molecular formula C33H32Cl2N6O6 and a molecular weight of 679.56 g/mol. Its IUPAC name is N-[2-chloro-3-[2-chloro-3-[(6R,7R)-6-hydroxy-1-methoxy-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)-6-hydroxy-1-methoxy-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: 167338249
• Molecular Formula: C33H32Cl2N6O6
• Molecular Weight: 679.56 g/mol
• Exact Mass: 678.18
• IUPAC Name: N-[2-chloro-3-[2-chloro-3-[(6R,7R)-6-hydroxy-1-methoxy-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](O)C2
• InChI: InChI=1S/C33H32Cl2N6O6/c1-40-15-21(32(45)41(2)33(40)46)30(44)38-22-9-5-7-19(28(22)35)18-6-4-8-20(27(18)34)23-12-16-13-24(42)29(26(16)31(39-23)47-3)36-14-17-10-11-25(43)37-17/h4-9,12,15,17,24,29,36,42H,10-11,13-14H2,1-3H3,(H,37,43)(H,38,44)/t17-,24+,29-/m0/s1
• InChIKey: NDPMQTYIEXHAMR-BPTOYXGOSA-N
• XLogP: 3.21
• TPSA: 156.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	679.56
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-[2-chloro-3-[(6R,7R)-6-hydroxy-1-methoxy-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)-6-hydroxy-1-methoxy-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 167338249) is N-[2-chloro-3-[2-chloro-3-[(6R,7R)-6-hydroxy-1-methoxy-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)-6-hydroxy-1-methoxy-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)-6-hydroxy-1-methoxy-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](O)C2.

What is the InChIKey of N-[2-chloro-3-[2-chloro-3-[(6R,7R)-6-hydroxy-1-methoxy-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 NDPMQTYIEXHAMR-BPTOYXGOSA-N. The full InChI is InChI=1S/C33H32Cl2N6O6/c1-40-15-21(32(45)41(2)33(40)46)30(44)38-22-9-5-7-19(28(22)35)18-6-4-8-20(27(18)34)23-12-16-13-24(42)29(26(16)31(39-23)47-3)36-14-17-10-11-25(43)37-17/h4-9,12,15,17,24,29,36,42H,10-11,13-14H2,1-3H3,(H,37,43)(H,38,44)/t17-,24+,29-/m0/s1.

What are the key properties of N-[2-chloro-3-[2-chloro-3-[(6R,7R)-6-hydroxy-1-methoxy-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)-6-hydroxy-1-methoxy-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 679.56 g/mol, XLogP of 3.21, 8 rotatable bonds, 4 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)-6-hydroxy-1-methoxy-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 167338249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).