3-[4-[[4-(cyclopropylmethyl)-6-(2-methylpropyl)pyrazolo[4,5-c]pyridin-1-yl]methyl]-2-methoxyphenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methylthiophene-2-sulfonamide

C32H37N5O4S2 — CID 25050326

IUPAC3-[4-[[4-(cyclopropylmethyl)-6-(2-methylpropyl)pyrazolo[4,5-c]pyridin-1-yl]methyl]-2-methoxyphenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methylthiophene-2-sulfonamide
SMILESCOc1cc(Cn2ncc3c(CC4CC4)nc(CC(C)C)cc32)ccc1-c1cc(C)sc1S(=O)(=O)Nc1noc(C)c1C
InChIInChI=1S/C32H37N5O4S2/c1-18(2)11-24-15-29-27(28(34-24)13-22-7-8-22)16-33-37(29)17-23-9-10-25(30(14-23)40-6)26-12-19(3)42-32(26)43(38,39)36-31-20(4)21(5)41-35-31/h9-10,12,14-16,18,22H,7-8,11,13,17H2,1-6H3,(H,35,36)
InChIKeyJZYMYYMQMFWGFT-UHFFFAOYSA-N
MW619.81 g/mol
LogP7.08
Rot. Bonds11

About 3-[4-[[4-(cyclopropylmethyl)-6-(2-methylpropyl)pyrazolo[4,5-c]pyridin-1-yl]methyl]-2-methoxyphenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methylthiophene-2-sulfonamide

3-[4-[[4-(cyclopropylmethyl)-6-(2-methylpropyl)pyrazolo[4,5-c]pyridin-1-yl]methyl]-2-methoxyphenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methylthiophene-2-sulfonamide (PubChem CID 25050326) has the molecular formula C32H37N5O4S2 and a molecular weight of 619.81 g/mol. Its IUPAC name is 3-[4-[[4-(cyclopropylmethyl)-6-(2-methylpropyl)pyrazolo[4,5-c]pyridin-1-yl]methyl]-2-methoxyphenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name3-[4-[[4-(cyclopropylmethyl)-6-(2-methylpropyl)pyrazolo[4,5-c]pyridin-1-yl]methyl]-2-methoxyphenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methylthiophene-2-sulfonamide
PubChem CID25050326
Molecular FormulaC32H37N5O4S2
Molecular Weight619.81 g/mol
Exact Mass619.23
IUPAC Name3-[4-[[4-(cyclopropylmethyl)-6-(2-methylpropyl)pyrazolo[4,5-c]pyridin-1-yl]methyl]-2-methoxyphenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methylthiophene-2-sulfonamide
SMILESCOc1cc(Cn2ncc3c(CC4CC4)nc(CC(C)C)cc32)ccc1-c1cc(C)sc1S(=O)(=O)Nc1noc(C)c1C
InChIInChI=1S/C32H37N5O4S2/c1-18(2)11-24-15-29-27(28(34-24)13-22-7-8-22)16-33-37(29)17-23-9-10-25(30(14-23)40-6)26-12-19(3)42-32(26)43(38,39)36-31-20(4)21(5)41-35-31/h9-10,12,14-16,18,22H,7-8,11,13,17H2,1-6H3,(H,35,36)
InChIKeyJZYMYYMQMFWGFT-UHFFFAOYSA-N
XLogP7.08
TPSA112.14 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.81
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[4-[[4-(cyclopropylmethyl)-6-(2-methylpropyl)pyrazolo[4,5-c]pyridin-1-yl]methyl]-2-methoxyphenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methylthiophene-2-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-(cyclopropylmethyl)-6-(2-methylpropyl)pyrazolo[4,5-c]pyridin-1-yl]methyl]-2-methoxyphenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methylthiophene-2-sulfonamide?
The IUPAC name of 3-[4-[[4-(cyclopropylmethyl)-6-(2-methylpropyl)pyrazolo[4,5-c]pyridin-1-yl]methyl]-2-methoxyphenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methylthiophene-2-sulfonamide (CID 25050326) is 3-[4-[[4-(cyclopropylmethyl)-6-(2-methylpropyl)pyrazolo[4,5-c]pyridin-1-yl]methyl]-2-methoxyphenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for 3-[4-[[4-(cyclopropylmethyl)-6-(2-methylpropyl)pyrazolo[4,5-c]pyridin-1-yl]methyl]-2-methoxyphenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methylthiophene-2-sulfonamide?
The canonical SMILES for 3-[4-[[4-(cyclopropylmethyl)-6-(2-methylpropyl)pyrazolo[4,5-c]pyridin-1-yl]methyl]-2-methoxyphenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methylthiophene-2-sulfonamide is COc1cc(Cn2ncc3c(CC4CC4)nc(CC(C)C)cc32)ccc1-c1cc(C)sc1S(=O)(=O)Nc1noc(C)c1C.
What is the InChIKey of 3-[4-[[4-(cyclopropylmethyl)-6-(2-methylpropyl)pyrazolo[4,5-c]pyridin-1-yl]methyl]-2-methoxyphenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methylthiophene-2-sulfonamide?
The InChIKey is JZYMYYMQMFWGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N5O4S2/c1-18(2)11-24-15-29-27(28(34-24)13-22-7-8-22)16-33-37(29)17-23-9-10-25(30(14-23)40-6)26-12-19(3)42-32(26)43(38,39)36-31-20(4)21(5)41-35-31/h9-10,12,14-16,18,22H,7-8,11,13,17H2,1-6H3,(H,35,36).
What are the key properties of 3-[4-[[4-(cyclopropylmethyl)-6-(2-methylpropyl)pyrazolo[4,5-c]pyridin-1-yl]methyl]-2-methoxyphenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methylthiophene-2-sulfonamide?
3-[4-[[4-(cyclopropylmethyl)-6-(2-methylpropyl)pyrazolo[4,5-c]pyridin-1-yl]methyl]-2-methoxyphenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methylthiophene-2-sulfonamide has a molecular weight of 619.81 g/mol, XLogP of 7.08, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-(cyclopropylmethyl)-6-(2-methylpropyl)pyrazolo[4,5-c]pyridin-1-yl]methyl]-2-methoxyphenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 25050326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).