N-[2-chloro-3-[2-chloro-3-[4-methoxy-3-[(5-oxopyrrolidin-2-yl)methylamino]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide

C31H28Cl2N6O5 — CID 167338378

About N-[2-chloro-3-[2-chloro-3-[4-methoxy-3-[(5-oxopyrrolidin-2-yl)methylamino]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide

N-[2-chloro-3-[2-chloro-3-[4-methoxy-3-[(5-oxopyrrolidin-2-yl)methylamino]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide (PubChem CID 167338378) has the molecular formula C31H28Cl2N6O5 and a molecular weight of 635.51 g/mol. Its IUPAC name is N-[2-chloro-3-[2-chloro-3-[4-methoxy-3-[(5-oxopyrrolidin-2-yl)methylamino]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-chloro-3-[2-chloro-3-[4-methoxy-3-[(5-oxopyrrolidin-2-yl)methylamino]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide
• PubChem CID: 167338378
• Molecular Formula: C31H28Cl2N6O5
• Molecular Weight: 635.51 g/mol
• Exact Mass: 634.15
• IUPAC Name: N-[2-chloro-3-[2-chloro-3-[4-methoxy-3-[(5-oxopyrrolidin-2-yl)methylamino]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide
• SMILES: COc1nc(-c2cccc(-c3cccc(NC(=O)c4ccnn(C)c4=O)c3Cl)c2Cl)cc2c1C(NCC1CCC(=O)N1)CO2
• InChI: InChI=1S/C31H28Cl2N6O5/c1-39-31(42)20(11-12-35-39)29(41)37-21-8-4-6-18(28(21)33)17-5-3-7-19(27(17)32)22-13-24-26(30(38-22)43-2)23(15-44-24)34-14-16-9-10-25(40)36-16/h3-8,11-13,16,23,34H,9-10,14-15H2,1-2H3,(H,36,40)(H,37,41)
• InChIKey: GHNJPCOGTOFPIR-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 136.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	635.51
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-[2-chloro-3-[4-methoxy-3-[(5-oxopyrrolidin-2-yl)methylamino]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide?

The IUPAC name of N-[2-chloro-3-[2-chloro-3-[4-methoxy-3-[(5-oxopyrrolidin-2-yl)methylamino]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide (CID 167338378) is N-[2-chloro-3-[2-chloro-3-[4-methoxy-3-[(5-oxopyrrolidin-2-yl)methylamino]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide.

What is the SMILES notation for N-[2-chloro-3-[2-chloro-3-[4-methoxy-3-[(5-oxopyrrolidin-2-yl)methylamino]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide?

The canonical SMILES for N-[2-chloro-3-[2-chloro-3-[4-methoxy-3-[(5-oxopyrrolidin-2-yl)methylamino]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide is COc1nc(-c2cccc(-c3cccc(NC(=O)c4ccnn(C)c4=O)c3Cl)c2Cl)cc2c1C(NCC1CCC(=O)N1)CO2.

What is the InChIKey of N-[2-chloro-3-[2-chloro-3-[4-methoxy-3-[(5-oxopyrrolidin-2-yl)methylamino]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide?

The InChIKey is GHNJPCOGTOFPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28Cl2N6O5/c1-39-31(42)20(11-12-35-39)29(41)37-21-8-4-6-18(28(21)33)17-5-3-7-19(27(17)32)22-13-24-26(30(38-22)43-2)23(15-44-24)34-14-16-9-10-25(40)36-16/h3-8,11-13,16,23,34H,9-10,14-15H2,1-2H3,(H,36,40)(H,37,41).

What are the key properties of N-[2-chloro-3-[2-chloro-3-[4-methoxy-3-[(5-oxopyrrolidin-2-yl)methylamino]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide?

N-[2-chloro-3-[2-chloro-3-[4-methoxy-3-[(5-oxopyrrolidin-2-yl)methylamino]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide has a molecular weight of 635.51 g/mol, XLogP of 4.38, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-3-[2-chloro-3-[4-methoxy-3-[(5-oxopyrrolidin-2-yl)methylamino]-2,3-dihydrofuro[3,2-c]pyridin-6-yl]phenyl]phenyl]-2-methyl-3-oxopyridazine-4-carboxamide is sourced from PubChem (CID 167338378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).