N-[3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-4-[(2-hydroxyethylamino)methyl]-1-methylimidazole-2-carboxamide

About N-[3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-4-[(2-hydroxyethylamino)methyl]-1-methylimidazole-2-carboxamide

N-[3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-4-[(2-hydroxyethylamino)methyl]-1-methylimidazole-2-carboxamide (PubChem CID 171489673) has the molecular formula C32H37ClN8O4 and a molecular weight of 633.15 g/mol. Its IUPAC name is N-[3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-4-[(2-hydroxyethylamino)methyl]-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound Name	N-[3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-4-[(2-hydroxyethylamino)methyl]-1-methylimidazole-2-carboxamide
PubChem CID	171489673
Molecular Formula	C32H37ClN8O4
Molecular Weight	633.15 g/mol
Exact Mass	632.26
IUPAC Name	N-[3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-4-[(2-hydroxyethylamino)methyl]-1-methylimidazole-2-carboxamide
SMILES	COc1nc(-c2ccnc(-c3cccc(NC(=O)c4nc(CNCCO)cn4C)c3C)c2Cl)ccc1CNC[C@H]1CCC(=O)N1
InChI	InChI=1S/C32H37ClN8O4/c1-19-23(5-4-6-25(19)39-31(44)30-38-22(18-41(30)2)17-34-13-14-42)29-28(33)24(11-12-36-29)26-9-7-20(32(40-26)45-3)15-35-16-21-8-10-27(43)37-21/h4-7,9,11-12,18,21,34-35,42H,8,10,13-17H2,1-3H3,(H,37,43)(H,39,44)/t21-/m1/s1
InChIKey	JQAWKQMYXCJKHP-OAQYLSRUSA-N
XLogP	3.22
TPSA	155.32 Å²
H-Bond Donors	5
H-Bond Acceptors	10
Rotatable Bonds	13
Heavy Atoms	45
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	633.15
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-4-[(2-hydroxyethylamino)methyl]-1-methylimidazole-2-carboxamide?

The IUPAC name of N-[3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-4-[(2-hydroxyethylamino)methyl]-1-methylimidazole-2-carboxamide (CID 171489673) is N-[3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-4-[(2-hydroxyethylamino)methyl]-1-methylimidazole-2-carboxamide.

What is the SMILES notation for N-[3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-4-[(2-hydroxyethylamino)methyl]-1-methylimidazole-2-carboxamide?

The canonical SMILES for N-[3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-4-[(2-hydroxyethylamino)methyl]-1-methylimidazole-2-carboxamide is COc1nc(-c2ccnc(-c3cccc(NC(=O)c4nc(CNCCO)cn4C)c3C)c2Cl)ccc1CNC[C@H]1CCC(=O)N1.

What is the InChIKey of N-[3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-4-[(2-hydroxyethylamino)methyl]-1-methylimidazole-2-carboxamide?

The InChIKey is JQAWKQMYXCJKHP-OAQYLSRUSA-N. The full InChI is InChI=1S/C32H37ClN8O4/c1-19-23(5-4-6-25(19)39-31(44)30-38-22(18-41(30)2)17-34-13-14-42)29-28(33)24(11-12-36-29)26-9-7-20(32(40-26)45-3)15-35-16-21-8-10-27(43)37-21/h4-7,9,11-12,18,21,34-35,42H,8,10,13-17H2,1-3H3,(H,37,43)(H,39,44)/t21-/m1/s1.

What are the key properties of N-[3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-4-[(2-hydroxyethylamino)methyl]-1-methylimidazole-2-carboxamide?

N-[3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-4-[(2-hydroxyethylamino)methyl]-1-methylimidazole-2-carboxamide has a molecular weight of 633.15 g/mol, XLogP of 3.22, 13 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-chloro-4-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]-2-pyridinyl]-2-methylphenyl]-4-[(2-hydroxyethylamino)methyl]-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 171489673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).