3-[1-(5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide

C25H27N5O3S — CID 134328479

IUPAC3-[1-(5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnn3ccc(S(=O)(=O)C(C)(C)C)cc23)c1
InChIInChI=1S/C25H27N5O3S/c1-16-5-6-17(24(31)28-19-7-8-19)11-21(16)18-13-26-30(15-18)23-14-27-29-10-9-20(12-22(23)29)34(32,33)25(2,3)4/h5-6,9-15,19H,7-8H2,1-4H3,(H,28,31)
InChIKeyGYBNLSRLSNBZIV-UHFFFAOYSA-N
MW477.59 g/mol
LogP3.96
Rot. Bonds5

About 3-[1-(5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide

3-[1-(5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide (PubChem CID 134328479) has the molecular formula C25H27N5O3S and a molecular weight of 477.59 g/mol. Its IUPAC name is 3-[1-(5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[1-(5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide
PubChem CID134328479
Molecular FormulaC25H27N5O3S
Molecular Weight477.59 g/mol
Exact Mass477.18
IUPAC Name3-[1-(5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnn3ccc(S(=O)(=O)C(C)(C)C)cc23)c1
InChIInChI=1S/C25H27N5O3S/c1-16-5-6-17(24(31)28-19-7-8-19)11-21(16)18-13-26-30(15-18)23-14-27-29-10-9-20(12-22(23)29)34(32,33)25(2,3)4/h5-6,9-15,19H,7-8H2,1-4H3,(H,28,31)
InChIKeyGYBNLSRLSNBZIV-UHFFFAOYSA-N
XLogP3.96
TPSA98.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5a-methyl-N-[1-(2-methylsulfonyl-1-pyridin-3-ylethyl)pyrazol-4-yl]-4,4a,5,6-tetrahydro-1H-cyclopropa[f]indazole-3-carboxamide
CID 73293781
4-[[[3-(1-methylpyrazol-3-yl)phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 70654733
N-[[5-(1-propan-2-ylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 118160922
2-fluoro-5-(1-methyl-1H-pyrazol-3-yl)-N-(6-((2-(methylsulfonyl)acetamido)methyl)-2-phenylpyridin-3-yl)-4-(trifluoromethyl)benzamide
CID 118393566
1-methyl-4-methylsulfonyl-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide
CID 165415024
1-methyl-4-methylsulfonyl-N-(2-phenylpyrazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide
CID 165415027
[3-methyl-4-[[7-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]sulfonyl]piperazin-1-yl]-phenylmethanone
CID 24748866
2-(1-cyclopropylethyl)-7-methyl-5-(1H-pyrazolo[4,5-b]pyridin-6-yl)-3H-isoindol-1-one
CID 162649983
N-[[5-(1-propylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 71726627
2-fluoro-5-(1-methyl-1H-pyrazol-3-yl)-N-(5-(S-methylsulfonimidoyl)-2-phenylpyridin-3-yl)-4-(trifluoromethyl)benzamide
CID 118393481
2-fluoro-5-(1-methylpyrazol-3-yl)-N-(5-methylsulfonyl-2-phenylpyridin-3-yl)-4-(trifluoromethyl)benzamide
CID 118393634
US10138241, Example 33
CID 134328591

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide?
The IUPAC name of 3-[1-(5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide (CID 134328479) is 3-[1-(5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide.
What is the SMILES notation for 3-[1-(5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide?
The canonical SMILES for 3-[1-(5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnn3ccc(S(=O)(=O)C(C)(C)C)cc23)c1.
What is the InChIKey of 3-[1-(5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide?
The InChIKey is GYBNLSRLSNBZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3S/c1-16-5-6-17(24(31)28-19-7-8-19)11-21(16)18-13-26-30(15-18)23-14-27-29-10-9-20(12-22(23)29)34(32,33)25(2,3)4/h5-6,9-15,19H,7-8H2,1-4H3,(H,28,31).
What are the key properties of 3-[1-(5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide?
3-[1-(5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide has a molecular weight of 477.59 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-tert-butylsulfonylpyrazolo[1,5-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 134328479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).