N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(E)-3-[6-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-2-enyl]benzenesulfonamide

C37H40N6O2S — CID 18659959

About N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(E)-3-[6-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-2-enyl]benzenesulfonamide

N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(E)-3-[6-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-2-enyl]benzenesulfonamide (PubChem CID 18659959) has the molecular formula C37H40N6O2S and a molecular weight of 632.83 g/mol. Its IUPAC name is N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(E)-3-[6-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-2-enyl]benzenesulfonamide.

Molecular Properties

• Compound Name: N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(E)-3-[6-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-2-enyl]benzenesulfonamide
• PubChem CID: 18659959
• Molecular Formula: C37H40N6O2S
• Molecular Weight: 632.83 g/mol
• Exact Mass: 632.29
• IUPAC Name: N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(E)-3-[6-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-2-enyl]benzenesulfonamide
• SMILES: Cc1ccc(/C(=C\CN2CCCC2)c2cccc(/C=C/CN(C)S(=O)(=O)c3ccc(Cn4c(C)nc5cnccc54)cc3)n2)cc1
• InChI: InChI=1S/C37H40N6O2S/c1-28-11-15-31(16-12-28)34(20-25-42-23-4-5-24-42)35-10-6-8-32(40-35)9-7-22-41(3)46(44,45)33-17-13-30(14-18-33)27-43-29(2)39-36-26-38-21-19-37(36)43/h6-21,26H,4-5,22-25,27H2,1-3H3/b9-7+,34-20+
• InChIKey: HPQBPAHFJBDXAQ-VOQBQZDZSA-N
• XLogP: 6.35
• TPSA: 84.22 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	632.83
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(E)-3-[6-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-2-enyl]benzenesulfonamide?

The IUPAC name of N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(E)-3-[6-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-2-enyl]benzenesulfonamide (CID 18659959) is N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(E)-3-[6-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-2-enyl]benzenesulfonamide.

What is the SMILES notation for N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(E)-3-[6-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-2-enyl]benzenesulfonamide?

The canonical SMILES for N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(E)-3-[6-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-2-enyl]benzenesulfonamide is Cc1ccc(/C(=C\CN2CCCC2)c2cccc(/C=C/CN(C)S(=O)(=O)c3ccc(Cn4c(C)nc5cnccc54)cc3)n2)cc1.

What is the InChIKey of N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(E)-3-[6-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-2-enyl]benzenesulfonamide?

The InChIKey is HPQBPAHFJBDXAQ-VOQBQZDZSA-N. The full InChI is InChI=1S/C37H40N6O2S/c1-28-11-15-31(16-12-28)34(20-25-42-23-4-5-24-42)35-10-6-8-32(40-35)9-7-22-41(3)46(44,45)33-17-13-30(14-18-33)27-43-29(2)39-36-26-38-21-19-37(36)43/h6-21,26H,4-5,22-25,27H2,1-3H3/b9-7+,34-20+.

What are the key properties of N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(E)-3-[6-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-2-enyl]benzenesulfonamide?

N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(E)-3-[6-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-2-enyl]benzenesulfonamide has a molecular weight of 632.83 g/mol, XLogP of 6.35, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]-N-[(E)-3-[6-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-2-enyl]benzenesulfonamide is sourced from PubChem (CID 18659959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).