(3R)-3-[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]cyclopentane-1-carboxamide

C35H38Cl2N8O4 — CID 139457687

About (3R)-3-[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]cyclopentane-1-carboxamide

(3R)-3-[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]cyclopentane-1-carboxamide (PubChem CID 139457687) has the molecular formula C35H38Cl2N8O4 and a molecular weight of 705.65 g/mol. Its IUPAC name is (3R)-3-[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]cyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: (3R)-3-[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]cyclopentane-1-carboxamide
• PubChem CID: 139457687
• Molecular Formula: C35H38Cl2N8O4
• Molecular Weight: 705.65 g/mol
• Exact Mass: 704.24
• IUPAC Name: (3R)-3-[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]cyclopentane-1-carboxamide
• SMILES: COc1nc(-c2cccc(-c3cccc(-c4cnc(CN[C@@H]5CCC(C(N)=O)C5)c(OC)n4)c3Cl)c2Cl)cnc1CNC[C@@H]1CCC(=O)N1
• InChI: InChI=1S/C35H38Cl2N8O4/c1-48-34-28(15-39-14-21-11-12-30(46)43-21)41-16-26(44-34)24-7-3-5-22(31(24)36)23-6-4-8-25(32(23)37)27-17-42-29(35(45-27)49-2)18-40-20-10-9-19(13-20)33(38)47/h3-8,16-17,19-21,39-40H,9-15,18H2,1-2H3,(H2,38,47)(H,43,46)/t19?,20-,21+/m1/s1
• InChIKey: UPWHNCJHULQION-JUODMZLFSA-N
• XLogP: 4.70
• TPSA: 166.27 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	705.65
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]cyclopentane-1-carboxamide?

The IUPAC name of (3R)-3-[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]cyclopentane-1-carboxamide (CID 139457687) is (3R)-3-[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]cyclopentane-1-carboxamide.

What is the SMILES notation for (3R)-3-[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]cyclopentane-1-carboxamide?

The canonical SMILES for (3R)-3-[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]cyclopentane-1-carboxamide is COc1nc(-c2cccc(-c3cccc(-c4cnc(CN[C@@H]5CCC(C(N)=O)C5)c(OC)n4)c3Cl)c2Cl)cnc1CNC[C@@H]1CCC(=O)N1.

What is the InChIKey of (3R)-3-[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]cyclopentane-1-carboxamide?

The InChIKey is UPWHNCJHULQION-JUODMZLFSA-N. The full InChI is InChI=1S/C35H38Cl2N8O4/c1-48-34-28(15-39-14-21-11-12-30(46)43-21)41-16-26(44-34)24-7-3-5-22(31(24)36)23-6-4-8-25(32(23)37)27-17-42-29(35(45-27)49-2)18-40-20-10-9-19(13-20)33(38)47/h3-8,16-17,19-21,39-40H,9-15,18H2,1-2H3,(H2,38,47)(H,43,46)/t19?,20-,21+/m1/s1.

What are the key properties of (3R)-3-[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]cyclopentane-1-carboxamide?

(3R)-3-[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]cyclopentane-1-carboxamide has a molecular weight of 705.65 g/mol, XLogP of 4.70, 13 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]cyclopentane-1-carboxamide is sourced from PubChem (CID 139457687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).