N-[(4-chlorophenyl)methyl]-2-[[[2-hydroxy-2-(1H-pyrazol-5-yl)ethyl]-methylamino]methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide

C24H26ClN5O3S — CID 10311302

About N-[(4-chlorophenyl)methyl]-2-[[[2-hydroxy-2-(1H-pyrazol-5-yl)ethyl]-methylamino]methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide

N-[(4-chlorophenyl)methyl]-2-[[[2-hydroxy-2-(1H-pyrazol-5-yl)ethyl]-methylamino]methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide (PubChem CID 10311302) has the molecular formula C24H26ClN5O3S and a molecular weight of 500.02 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[[[2-hydroxy-2-(1H-pyrazol-5-yl)ethyl]-methylamino]methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-[(4-chlorophenyl)methyl]-2-[[[2-hydroxy-2-(1H-pyrazol-5-yl)ethyl]-methylamino]methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide
• PubChem CID: 10311302
• Molecular Formula: C24H26ClN5O3S
• Molecular Weight: 500.02 g/mol
• Exact Mass: 499.14
• IUPAC Name: N-[(4-chlorophenyl)methyl]-2-[[[2-hydroxy-2-(1H-pyrazol-5-yl)ethyl]-methylamino]methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide
• SMILES: Cc1c(CN(C)CC(O)c2ccn[nH]2)sc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cn(C)c12
• InChI: InChI=1S/C24H26ClN5O3S/c1-14-20(13-29(2)12-19(31)18-8-9-27-28-18)34-23-21(14)30(3)11-17(22(23)32)24(33)26-10-15-4-6-16(25)7-5-15/h4-9,11,19,31H,10,12-13H2,1-3H3,(H,26,33)(H,27,28)
• InChIKey: KSUYDMRWCSUONH-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 103.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.02
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[[[2-hydroxy-2-(1H-pyrazol-5-yl)ethyl]-methylamino]methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide?

The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[[[2-hydroxy-2-(1H-pyrazol-5-yl)ethyl]-methylamino]methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide (CID 10311302) is N-[(4-chlorophenyl)methyl]-2-[[[2-hydroxy-2-(1H-pyrazol-5-yl)ethyl]-methylamino]methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide.

What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[[[2-hydroxy-2-(1H-pyrazol-5-yl)ethyl]-methylamino]methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide?

The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[[[2-hydroxy-2-(1H-pyrazol-5-yl)ethyl]-methylamino]methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide is Cc1c(CN(C)CC(O)c2ccn[nH]2)sc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cn(C)c12.

What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[[[2-hydroxy-2-(1H-pyrazol-5-yl)ethyl]-methylamino]methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide?

The InChIKey is KSUYDMRWCSUONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O3S/c1-14-20(13-29(2)12-19(31)18-8-9-27-28-18)34-23-21(14)30(3)11-17(22(23)32)24(33)26-10-15-4-6-16(25)7-5-15/h4-9,11,19,31H,10,12-13H2,1-3H3,(H,26,33)(H,27,28).

What are the key properties of N-[(4-chlorophenyl)methyl]-2-[[[2-hydroxy-2-(1H-pyrazol-5-yl)ethyl]-methylamino]methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide?

N-[(4-chlorophenyl)methyl]-2-[[[2-hydroxy-2-(1H-pyrazol-5-yl)ethyl]-methylamino]methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 500.02 g/mol, XLogP of 3.38, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-chlorophenyl)methyl]-2-[[[2-hydroxy-2-(1H-pyrazol-5-yl)ethyl]-methylamino]methyl]-3,4-dimethyl-7-oxothieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 10311302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).