1-[[5-chloro-6-[[(1S)-4-[2-chloro-3-[6-methoxy-5-[[[(1R)-3-oxocyclopentyl]methylamino]methyl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-3-carboxamide

C41H45Cl2N5O5 — CID 160534286

About 1-[[5-chloro-6-[[(1S)-4-[2-chloro-3-[6-methoxy-5-[[[(1R)-3-oxocyclopentyl]methylamino]methyl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-3-carboxamide

1-[[5-chloro-6-[[(1S)-4-[2-chloro-3-[6-methoxy-5-[[[(1R)-3-oxocyclopentyl]methylamino]methyl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-3-carboxamide (PubChem CID 160534286) has the molecular formula C41H45Cl2N5O5 and a molecular weight of 758.75 g/mol. Its IUPAC name is 1-[[5-chloro-6-[[(1S)-4-[2-chloro-3-[6-methoxy-5-[[[(1R)-3-oxocyclopentyl]methylamino]methyl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[[5-chloro-6-[[(1S)-4-[2-chloro-3-[6-methoxy-5-[[[(1R)-3-oxocyclopentyl]methylamino]methyl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-3-carboxamide
• PubChem CID: 160534286
• Molecular Formula: C41H45Cl2N5O5
• Molecular Weight: 758.75 g/mol
• Exact Mass: 757.28
• IUPAC Name: 1-[[5-chloro-6-[[(1S)-4-[2-chloro-3-[6-methoxy-5-[[[(1R)-3-oxocyclopentyl]methylamino]methyl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-3-carboxamide
• SMILES: CNC(=O)C1CCN(Cc2cc(Cl)c(O[C@H]3CCc4c(-c5cccc(-c6ccc(CNC[C@@H]7CCC(=O)C7)c(OC)n6)c5Cl)cccc43)nc2OC)C1
• InChI: InChI=1S/C41H45Cl2N5O5/c1-44-38(50)26-16-17-48(22-26)23-27-19-34(42)41(47-40(27)52-3)53-36-15-13-30-29(6-4-7-31(30)36)32-8-5-9-33(37(32)43)35-14-11-25(39(46-35)51-2)21-45-20-24-10-12-28(49)18-24/h4-9,11,14,19,24,26,36,45H,10,12-13,15-18,20-23H2,1-3H3,(H,44,50)/t24-,26?,36+/m1/s1
• InChIKey: QVYHHHWTBXMNNZ-RBCORHKWSA-N
• XLogP: 7.23
• TPSA: 114.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	758.75
LogP ≤ 5	7.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[[5-chloro-6-[[(1S)-4-[2-chloro-3-[6-methoxy-5-[[[(1R)-3-oxocyclopentyl]methylamino]methyl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-3-carboxamide?

The IUPAC name of 1-[[5-chloro-6-[[(1S)-4-[2-chloro-3-[6-methoxy-5-[[[(1R)-3-oxocyclopentyl]methylamino]methyl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-3-carboxamide (CID 160534286) is 1-[[5-chloro-6-[[(1S)-4-[2-chloro-3-[6-methoxy-5-[[[(1R)-3-oxocyclopentyl]methylamino]methyl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-3-carboxamide.

What is the SMILES notation for 1-[[5-chloro-6-[[(1S)-4-[2-chloro-3-[6-methoxy-5-[[[(1R)-3-oxocyclopentyl]methylamino]methyl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-3-carboxamide?

The canonical SMILES for 1-[[5-chloro-6-[[(1S)-4-[2-chloro-3-[6-methoxy-5-[[[(1R)-3-oxocyclopentyl]methylamino]methyl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-3-carboxamide is CNC(=O)C1CCN(Cc2cc(Cl)c(O[C@H]3CCc4c(-c5cccc(-c6ccc(CNC[C@@H]7CCC(=O)C7)c(OC)n6)c5Cl)cccc43)nc2OC)C1.

What is the InChIKey of 1-[[5-chloro-6-[[(1S)-4-[2-chloro-3-[6-methoxy-5-[[[(1R)-3-oxocyclopentyl]methylamino]methyl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-3-carboxamide?

The InChIKey is QVYHHHWTBXMNNZ-RBCORHKWSA-N. The full InChI is InChI=1S/C41H45Cl2N5O5/c1-44-38(50)26-16-17-48(22-26)23-27-19-34(42)41(47-40(27)52-3)53-36-15-13-30-29(6-4-7-31(30)36)32-8-5-9-33(37(32)43)35-14-11-25(39(46-35)51-2)21-45-20-24-10-12-28(49)18-24/h4-9,11,14,19,24,26,36,45H,10,12-13,15-18,20-23H2,1-3H3,(H,44,50)/t24-,26?,36+/m1/s1.

What are the key properties of 1-[[5-chloro-6-[[(1S)-4-[2-chloro-3-[6-methoxy-5-[[[(1R)-3-oxocyclopentyl]methylamino]methyl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-3-carboxamide?

1-[[5-chloro-6-[[(1S)-4-[2-chloro-3-[6-methoxy-5-[[[(1R)-3-oxocyclopentyl]methylamino]methyl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-3-carboxamide has a molecular weight of 758.75 g/mol, XLogP of 7.23, 13 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-chloro-6-[[(1S)-4-[2-chloro-3-[6-methoxy-5-[[[(1R)-3-oxocyclopentyl]methylamino]methyl]-2-pyridinyl]phenyl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxy-3-pyridinyl]methyl]-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 160534286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).