3-[4-[[6-(cyclopropylmethyl)-3,4-dimethylpyrazolo[4,5-c]pyridin-1-yl]methyl]-2-propylphenyl]-N-(5-ethyl-4-methyl-1,2-oxazol-3-yl)-5-methylthiophene-2-sulfonamide

C33H39N5O3S2 — CID 25050175

IUPAC3-[4-[[6-(cyclopropylmethyl)-3,4-dimethylpyrazolo[4,5-c]pyridin-1-yl]methyl]-2-propylphenyl]-N-(5-ethyl-4-methyl-1,2-oxazol-3-yl)-5-methylthiophene-2-sulfonamide
SMILESCCCc1cc(Cn2nc(C)c3c(C)nc(CC4CC4)cc32)ccc1-c1cc(C)sc1S(=O)(=O)Nc1noc(CC)c1C
InChIInChI=1S/C33H39N5O3S2/c1-7-9-25-15-24(18-38-29-17-26(16-23-10-11-23)34-21(5)31(29)22(6)35-38)12-13-27(25)28-14-19(3)42-33(28)43(39,40)37-32-20(4)30(8-2)41-36-32/h12-15,17,23H,7-11,16,18H2,1-6H3,(H,36,37)
InChIKeyIMLOAPTZBFEGGH-UHFFFAOYSA-N
MW617.84 g/mol
LogP7.70
Rot. Bonds11

About 3-[4-[[6-(cyclopropylmethyl)-3,4-dimethylpyrazolo[4,5-c]pyridin-1-yl]methyl]-2-propylphenyl]-N-(5-ethyl-4-methyl-1,2-oxazol-3-yl)-5-methylthiophene-2-sulfonamide

3-[4-[[6-(cyclopropylmethyl)-3,4-dimethylpyrazolo[4,5-c]pyridin-1-yl]methyl]-2-propylphenyl]-N-(5-ethyl-4-methyl-1,2-oxazol-3-yl)-5-methylthiophene-2-sulfonamide (PubChem CID 25050175) has the molecular formula C33H39N5O3S2 and a molecular weight of 617.84 g/mol. Its IUPAC name is 3-[4-[[6-(cyclopropylmethyl)-3,4-dimethylpyrazolo[4,5-c]pyridin-1-yl]methyl]-2-propylphenyl]-N-(5-ethyl-4-methyl-1,2-oxazol-3-yl)-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name3-[4-[[6-(cyclopropylmethyl)-3,4-dimethylpyrazolo[4,5-c]pyridin-1-yl]methyl]-2-propylphenyl]-N-(5-ethyl-4-methyl-1,2-oxazol-3-yl)-5-methylthiophene-2-sulfonamide
PubChem CID25050175
Molecular FormulaC33H39N5O3S2
Molecular Weight617.84 g/mol
Exact Mass617.25
IUPAC Name3-[4-[[6-(cyclopropylmethyl)-3,4-dimethylpyrazolo[4,5-c]pyridin-1-yl]methyl]-2-propylphenyl]-N-(5-ethyl-4-methyl-1,2-oxazol-3-yl)-5-methylthiophene-2-sulfonamide
SMILESCCCc1cc(Cn2nc(C)c3c(C)nc(CC4CC4)cc32)ccc1-c1cc(C)sc1S(=O)(=O)Nc1noc(CC)c1C
InChIInChI=1S/C33H39N5O3S2/c1-7-9-25-15-24(18-38-29-17-26(16-23-10-11-23)34-21(5)31(29)22(6)35-38)12-13-27(25)28-14-19(3)42-33(28)43(39,40)37-32-20(4)30(8-2)41-36-32/h12-15,17,23H,7-11,16,18H2,1-6H3,(H,36,37)
InChIKeyIMLOAPTZBFEGGH-UHFFFAOYSA-N
XLogP7.70
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.84
LogP ≤ 57.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[4-[[6-(cyclopropylmethyl)-3,4-dimethylpyrazolo[4,5-c]pyridin-1-yl]methyl]-2-propylphenyl]-N-(5-ethyl-4-methyl-1,2-oxazol-3-yl)-5-methylthiophene-2-sulfonamide with MolForge

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Related Compounds

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
N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-[2-(ethoxymethyl)-4-[(6-ethyl-3,4-dimethylpyrazolo[4,5-c]pyridin-1-yl)methyl]phenyl]-N-(2-methoxyethoxymethyl)-5-methylthiophene-2-sulfonamide
CID 59145800
N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-[4-[(3-methoxy-4,6-dimethylpyrazolo[4,3-c]pyridin-1-yl)methyl]-2-(2-methoxyethoxy)phenyl]-5-methylthiophene-2-sulfonamide
CID 25049853
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
3-[2-(ethoxymethyl)-4-[(6-ethyl-4-methyl-3-phenylpyrazolo[4,3-c]pyridin-1-yl)methyl]phenyl]-5-methylthiophene-2-sulfonic acid;N-(2-methoxyethoxymethyl)-4,5-dimethyl-1,2-oxazol-3-amine
CID 172754972
ethyl 4-[[4-[2-[(5-ethyl-4-methyl-1,2-oxazol-3-yl)sulfamoyl]-5-methylthiophen-3-yl]phenyl]methoxy]-6-methyl-2-propylpyridine-3-carboxylate
CID 25050172
N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-[4-[(6-ethyl-4-methyl-3-phenylpyrazolo[4,3-c]pyridin-1-yl)methyl]phenyl]-1-benzothiophene-2-sulfonamide
CID 25051486
3-[2-chloro-4-[(5-phenyl-2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methylthiophene-2-sulfonamide
CID 25051812
3-[4-[(3-cyclopropyl-4,6-dimethylpyrazolo[4,3-c]pyridin-1-yl)methyl]-2-fluorophenyl]-5-methylthiophene-2-sulfonic acid
CID 87490769
3-[4-[[4,6-dimethyl-3-(5-methylthiophen-2-yl)pyrazolo[4,3-c]pyridin-1-yl]methyl]phenyl]-5-methyl-N-(1,2-oxazol-3-yl)thiophene-2-sulfonamide
CID 25051987
2-[4-[[2-(cyclobutylmethyl)-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl]methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 170414760
N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methyl-3-[4-[[7-(2-methylpropyl)-2-oxo-5-phenyl-1,6-naphthyridin-1-yl]methyl]phenyl]thiophene-2-sulfonamide
CID 25050472

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[6-(cyclopropylmethyl)-3,4-dimethylpyrazolo[4,5-c]pyridin-1-yl]methyl]-2-propylphenyl]-N-(5-ethyl-4-methyl-1,2-oxazol-3-yl)-5-methylthiophene-2-sulfonamide?
The IUPAC name of 3-[4-[[6-(cyclopropylmethyl)-3,4-dimethylpyrazolo[4,5-c]pyridin-1-yl]methyl]-2-propylphenyl]-N-(5-ethyl-4-methyl-1,2-oxazol-3-yl)-5-methylthiophene-2-sulfonamide (CID 25050175) is 3-[4-[[6-(cyclopropylmethyl)-3,4-dimethylpyrazolo[4,5-c]pyridin-1-yl]methyl]-2-propylphenyl]-N-(5-ethyl-4-methyl-1,2-oxazol-3-yl)-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for 3-[4-[[6-(cyclopropylmethyl)-3,4-dimethylpyrazolo[4,5-c]pyridin-1-yl]methyl]-2-propylphenyl]-N-(5-ethyl-4-methyl-1,2-oxazol-3-yl)-5-methylthiophene-2-sulfonamide?
The canonical SMILES for 3-[4-[[6-(cyclopropylmethyl)-3,4-dimethylpyrazolo[4,5-c]pyridin-1-yl]methyl]-2-propylphenyl]-N-(5-ethyl-4-methyl-1,2-oxazol-3-yl)-5-methylthiophene-2-sulfonamide is CCCc1cc(Cn2nc(C)c3c(C)nc(CC4CC4)cc32)ccc1-c1cc(C)sc1S(=O)(=O)Nc1noc(CC)c1C.
What is the InChIKey of 3-[4-[[6-(cyclopropylmethyl)-3,4-dimethylpyrazolo[4,5-c]pyridin-1-yl]methyl]-2-propylphenyl]-N-(5-ethyl-4-methyl-1,2-oxazol-3-yl)-5-methylthiophene-2-sulfonamide?
The InChIKey is IMLOAPTZBFEGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N5O3S2/c1-7-9-25-15-24(18-38-29-17-26(16-23-10-11-23)34-21(5)31(29)22(6)35-38)12-13-27(25)28-14-19(3)42-33(28)43(39,40)37-32-20(4)30(8-2)41-36-32/h12-15,17,23H,7-11,16,18H2,1-6H3,(H,36,37).
What are the key properties of 3-[4-[[6-(cyclopropylmethyl)-3,4-dimethylpyrazolo[4,5-c]pyridin-1-yl]methyl]-2-propylphenyl]-N-(5-ethyl-4-methyl-1,2-oxazol-3-yl)-5-methylthiophene-2-sulfonamide?
3-[4-[[6-(cyclopropylmethyl)-3,4-dimethylpyrazolo[4,5-c]pyridin-1-yl]methyl]-2-propylphenyl]-N-(5-ethyl-4-methyl-1,2-oxazol-3-yl)-5-methylthiophene-2-sulfonamide has a molecular weight of 617.84 g/mol, XLogP of 7.70, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[6-(cyclopropylmethyl)-3,4-dimethylpyrazolo[4,5-c]pyridin-1-yl]methyl]-2-propylphenyl]-N-(5-ethyl-4-methyl-1,2-oxazol-3-yl)-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 25050175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).