N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-[2-(2-hydroxyethyl)-4-[[3-methyl-6-[(4-methylphenyl)methyl]-4-(5-methylthiophen-2-yl)pyrazolo[4,5-c]pyridin-1-yl]methyl]phenyl]-5-methylthiophene-2-sulfonamide

C39H39N5O4S3 — CID 25050325

About N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-[2-(2-hydroxyethyl)-4-[[3-methyl-6-[(4-methylphenyl)methyl]-4-(5-methylthiophen-2-yl)pyrazolo[4,5-c]pyridin-1-yl]methyl]phenyl]-5-methylthiophene-2-sulfonamide

N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-[2-(2-hydroxyethyl)-4-[[3-methyl-6-[(4-methylphenyl)methyl]-4-(5-methylthiophen-2-yl)pyrazolo[4,5-c]pyridin-1-yl]methyl]phenyl]-5-methylthiophene-2-sulfonamide (PubChem CID 25050325) has the molecular formula C39H39N5O4S3 and a molecular weight of 737.97 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-[2-(2-hydroxyethyl)-4-[[3-methyl-6-[(4-methylphenyl)methyl]-4-(5-methylthiophen-2-yl)pyrazolo[4,5-c]pyridin-1-yl]methyl]phenyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

• Compound Name: N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-[2-(2-hydroxyethyl)-4-[[3-methyl-6-[(4-methylphenyl)methyl]-4-(5-methylthiophen-2-yl)pyrazolo[4,5-c]pyridin-1-yl]methyl]phenyl]-5-methylthiophene-2-sulfonamide
• PubChem CID: 25050325
• Molecular Formula: C39H39N5O4S3
• Molecular Weight: 737.97 g/mol
• Exact Mass: 737.22
• IUPAC Name: N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-[2-(2-hydroxyethyl)-4-[[3-methyl-6-[(4-methylphenyl)methyl]-4-(5-methylthiophen-2-yl)pyrazolo[4,5-c]pyridin-1-yl]methyl]phenyl]-5-methylthiophene-2-sulfonamide
• SMILES: Cc1ccc(Cc2cc3c(c(C)nn3Cc3ccc(-c4cc(C)sc4S(=O)(=O)Nc4noc(C)c4C)c(CCO)c3)c(-c3ccc(C)s3)n2)cc1
• InChI: InChI=1S/C39H39N5O4S3/c1-22-7-10-28(11-8-22)19-31-20-34-36(37(40-31)35-14-9-23(2)49-35)26(5)41-44(34)21-29-12-13-32(30(18-29)15-16-45)33-17-24(3)50-39(33)51(46,47)43-38-25(4)27(6)48-42-38/h7-14,17-18,20,45H,15-16,19,21H2,1-6H3,(H,42,43)
• InChIKey: DVPBODKQIHEUDF-UHFFFAOYSA-N
• XLogP: 8.70
• TPSA: 123.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	737.97
LogP ≤ 5	8.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-[2-(2-hydroxyethyl)-4-[[3-methyl-6-[(4-methylphenyl)methyl]-4-(5-methylthiophen-2-yl)pyrazolo[4,5-c]pyridin-1-yl]methyl]phenyl]-5-methylthiophene-2-sulfonamide?

The IUPAC name of N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-[2-(2-hydroxyethyl)-4-[[3-methyl-6-[(4-methylphenyl)methyl]-4-(5-methylthiophen-2-yl)pyrazolo[4,5-c]pyridin-1-yl]methyl]phenyl]-5-methylthiophene-2-sulfonamide (CID 25050325) is N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-[2-(2-hydroxyethyl)-4-[[3-methyl-6-[(4-methylphenyl)methyl]-4-(5-methylthiophen-2-yl)pyrazolo[4,5-c]pyridin-1-yl]methyl]phenyl]-5-methylthiophene-2-sulfonamide.

What is the SMILES notation for N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-[2-(2-hydroxyethyl)-4-[[3-methyl-6-[(4-methylphenyl)methyl]-4-(5-methylthiophen-2-yl)pyrazolo[4,5-c]pyridin-1-yl]methyl]phenyl]-5-methylthiophene-2-sulfonamide?

The canonical SMILES for N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-[2-(2-hydroxyethyl)-4-[[3-methyl-6-[(4-methylphenyl)methyl]-4-(5-methylthiophen-2-yl)pyrazolo[4,5-c]pyridin-1-yl]methyl]phenyl]-5-methylthiophene-2-sulfonamide is Cc1ccc(Cc2cc3c(c(C)nn3Cc3ccc(-c4cc(C)sc4S(=O)(=O)Nc4noc(C)c4C)c(CCO)c3)c(-c3ccc(C)s3)n2)cc1.

What is the InChIKey of N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-[2-(2-hydroxyethyl)-4-[[3-methyl-6-[(4-methylphenyl)methyl]-4-(5-methylthiophen-2-yl)pyrazolo[4,5-c]pyridin-1-yl]methyl]phenyl]-5-methylthiophene-2-sulfonamide?

The InChIKey is DVPBODKQIHEUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H39N5O4S3/c1-22-7-10-28(11-8-22)19-31-20-34-36(37(40-31)35-14-9-23(2)49-35)26(5)41-44(34)21-29-12-13-32(30(18-29)15-16-45)33-17-24(3)50-39(33)51(46,47)43-38-25(4)27(6)48-42-38/h7-14,17-18,20,45H,15-16,19,21H2,1-6H3,(H,42,43).

What are the key properties of N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-[2-(2-hydroxyethyl)-4-[[3-methyl-6-[(4-methylphenyl)methyl]-4-(5-methylthiophen-2-yl)pyrazolo[4,5-c]pyridin-1-yl]methyl]phenyl]-5-methylthiophene-2-sulfonamide?

N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-[2-(2-hydroxyethyl)-4-[[3-methyl-6-[(4-methylphenyl)methyl]-4-(5-methylthiophen-2-yl)pyrazolo[4,5-c]pyridin-1-yl]methyl]phenyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 737.97 g/mol, XLogP of 8.70, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-[2-(2-hydroxyethyl)-4-[[3-methyl-6-[(4-methylphenyl)methyl]-4-(5-methylthiophen-2-yl)pyrazolo[4,5-c]pyridin-1-yl]methyl]phenyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 25050325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).