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

C35H37Cl2N7O4 — CID 146882271

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

3-[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[3-[(2R)-5-oxopyrrolidin-2-yl]propyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]cyclobutane-1-carboxamide (PubChem CID 146882271) has the molecular formula C35H37Cl2N7O4 and a molecular weight of 690.63 g/mol. Its IUPAC name is 3-[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[3-[(2R)-5-oxopyrrolidin-2-yl]propyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]cyclobutane-1-carboxamide.

Molecular Properties

• Compound Name: 3-[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[3-[(2R)-5-oxopyrrolidin-2-yl]propyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]cyclobutane-1-carboxamide
• PubChem CID: 146882271
• Molecular Formula: C35H37Cl2N7O4
• Molecular Weight: 690.63 g/mol
• Exact Mass: 689.23
• IUPAC Name: 3-[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[3-[(2R)-5-oxopyrrolidin-2-yl]propyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]cyclobutane-1-carboxamide
• SMILES: COc1nc(-c2cccc(-c3cccc(-c4cnc(CNC5CC(C(N)=O)C5)c(OC)n4)c3Cl)c2Cl)cnc1CCC[C@@H]1CCC(=O)N1
• InChI: InChI=1S/C35H37Cl2N7O4/c1-47-34-26(11-3-6-20-12-13-30(45)42-20)40-16-27(43-34)24-9-4-7-22(31(24)36)23-8-5-10-25(32(23)37)28-17-41-29(35(44-28)48-2)18-39-21-14-19(15-21)33(38)46/h4-5,7-10,16-17,19-21,39H,3,6,11-15,18H2,1-2H3,(H2,38,46)(H,42,45)/t19?,20-,21?/m1/s1
• InChIKey: STSNDEMUWLRAML-NYLDSWQDSA-N
• XLogP: 5.55
• TPSA: 154.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	690.63
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 3-[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[3-[(2R)-5-oxopyrrolidin-2-yl]propyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]cyclobutane-1-carboxamide (CID 146882271) is 3-[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[3-[(2R)-5-oxopyrrolidin-2-yl]propyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]cyclobutane-1-carboxamide.

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

The canonical SMILES for 3-[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[3-[(2R)-5-oxopyrrolidin-2-yl]propyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]cyclobutane-1-carboxamide is COc1nc(-c2cccc(-c3cccc(-c4cnc(CNC5CC(C(N)=O)C5)c(OC)n4)c3Cl)c2Cl)cnc1CCC[C@@H]1CCC(=O)N1.

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

The InChIKey is STSNDEMUWLRAML-NYLDSWQDSA-N. The full InChI is InChI=1S/C35H37Cl2N7O4/c1-47-34-26(11-3-6-20-12-13-30(45)42-20)40-16-27(43-34)24-9-4-7-22(31(24)36)23-8-5-10-25(32(23)37)28-17-41-29(35(44-28)48-2)18-39-21-14-19(15-21)33(38)46/h4-5,7-10,16-17,19-21,39H,3,6,11-15,18H2,1-2H3,(H2,38,46)(H,42,45)/t19?,20-,21?/m1/s1.

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

3-[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[3-[(2R)-5-oxopyrrolidin-2-yl]propyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]cyclobutane-1-carboxamide has a molecular weight of 690.63 g/mol, XLogP of 5.55, 13 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[3-[(2R)-5-oxopyrrolidin-2-yl]propyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]cyclobutane-1-carboxamide is sourced from PubChem (CID 146882271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).