N-[2-[5-[(2R,3R)-3-amino-2-methylpiperidine-1-carbonyl]-7-methoxy-1-(2-methoxyethyl)benzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-ethylmethanesulfonamide

C32H43N7O5S — CID 167416855

About N-[2-[5-[(2R,3R)-3-amino-2-methylpiperidine-1-carbonyl]-7-methoxy-1-(2-methoxyethyl)benzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-ethylmethanesulfonamide

N-[2-[5-[(2R,3R)-3-amino-2-methylpiperidine-1-carbonyl]-7-methoxy-1-(2-methoxyethyl)benzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-ethylmethanesulfonamide (PubChem CID 167416855) has the molecular formula C32H43N7O5S and a molecular weight of 637.81 g/mol. Its IUPAC name is N-[2-[5-[(2R,3R)-3-amino-2-methylpiperidine-1-carbonyl]-7-methoxy-1-(2-methoxyethyl)benzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-ethylmethanesulfonamide.

Molecular Properties

• Compound Name: N-[2-[5-[(2R,3R)-3-amino-2-methylpiperidine-1-carbonyl]-7-methoxy-1-(2-methoxyethyl)benzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-ethylmethanesulfonamide
• PubChem CID: 167416855
• Molecular Formula: C32H43N7O5S
• Molecular Weight: 637.81 g/mol
• Exact Mass: 637.30
• IUPAC Name: N-[2-[5-[(2R,3R)-3-amino-2-methylpiperidine-1-carbonyl]-7-methoxy-1-(2-methoxyethyl)benzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-ethylmethanesulfonamide
• SMILES: CCN(c1ccc2cc(-c3nc4cc(C(=O)N5CCC[C@@H](N)[C@H]5C)cc(OC)c4n3CCOC)n(CC3CC3)c2n1)S(C)(=O)=O
• InChI: InChI=1S/C32H43N7O5S/c1-6-39(45(5,41)42)28-12-11-22-17-26(38(30(22)35-28)19-21-9-10-21)31-34-25-16-23(32(40)36-13-7-8-24(33)20(36)2)18-27(44-4)29(25)37(31)14-15-43-3/h11-12,16-18,20-21,24H,6-10,13-15,19,33H2,1-5H3/t20-,24-/m1/s1
• InChIKey: SFQQMZRSUPNMBQ-HYBUGGRVSA-N
• XLogP: 3.86
• TPSA: 137.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	637.81
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(2R,3R)-3-amino-2-methylpiperidine-1-carbonyl]-7-methoxy-1-(2-methoxyethyl)benzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-ethylmethanesulfonamide?

The IUPAC name of N-[2-[5-[(2R,3R)-3-amino-2-methylpiperidine-1-carbonyl]-7-methoxy-1-(2-methoxyethyl)benzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-ethylmethanesulfonamide (CID 167416855) is N-[2-[5-[(2R,3R)-3-amino-2-methylpiperidine-1-carbonyl]-7-methoxy-1-(2-methoxyethyl)benzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-ethylmethanesulfonamide.

What is the SMILES notation for N-[2-[5-[(2R,3R)-3-amino-2-methylpiperidine-1-carbonyl]-7-methoxy-1-(2-methoxyethyl)benzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-ethylmethanesulfonamide?

The canonical SMILES for N-[2-[5-[(2R,3R)-3-amino-2-methylpiperidine-1-carbonyl]-7-methoxy-1-(2-methoxyethyl)benzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-ethylmethanesulfonamide is CCN(c1ccc2cc(-c3nc4cc(C(=O)N5CCC[C@@H](N)[C@H]5C)cc(OC)c4n3CCOC)n(CC3CC3)c2n1)S(C)(=O)=O.

What is the InChIKey of N-[2-[5-[(2R,3R)-3-amino-2-methylpiperidine-1-carbonyl]-7-methoxy-1-(2-methoxyethyl)benzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-ethylmethanesulfonamide?

The InChIKey is SFQQMZRSUPNMBQ-HYBUGGRVSA-N. The full InChI is InChI=1S/C32H43N7O5S/c1-6-39(45(5,41)42)28-12-11-22-17-26(38(30(22)35-28)19-21-9-10-21)31-34-25-16-23(32(40)36-13-7-8-24(33)20(36)2)18-27(44-4)29(25)37(31)14-15-43-3/h11-12,16-18,20-21,24H,6-10,13-15,19,33H2,1-5H3/t20-,24-/m1/s1.

What are the key properties of N-[2-[5-[(2R,3R)-3-amino-2-methylpiperidine-1-carbonyl]-7-methoxy-1-(2-methoxyethyl)benzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-ethylmethanesulfonamide?

N-[2-[5-[(2R,3R)-3-amino-2-methylpiperidine-1-carbonyl]-7-methoxy-1-(2-methoxyethyl)benzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-ethylmethanesulfonamide has a molecular weight of 637.81 g/mol, XLogP of 3.86, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[5-[(2R,3R)-3-amino-2-methylpiperidine-1-carbonyl]-7-methoxy-1-(2-methoxyethyl)benzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-ethylmethanesulfonamide is sourced from PubChem (CID 167416855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).