3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide

C25H27N5O3S — CID 134328438

IUPAC3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cn3cc(S(=O)(=O)C(C)(C)C)ccc3n2)c1
InChIInChI=1S/C25H27N5O3S/c1-16-5-6-17(24(31)27-19-7-8-19)11-21(16)18-12-26-30(13-18)23-15-29-14-20(9-10-22(29)28-23)34(32,33)25(2,3)4/h5-6,9-15,19H,7-8H2,1-4H3,(H,27,31)
InChIKeyLPFSNSWLDOTHOA-UHFFFAOYSA-N
MW477.59 g/mol
LogP3.96
Rot. Bonds5

About 3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide

3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide (PubChem CID 134328438) has the molecular formula C25H27N5O3S and a molecular weight of 477.59 g/mol. Its IUPAC name is 3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide
PubChem CID134328438
Molecular FormulaC25H27N5O3S
Molecular Weight477.59 g/mol
Exact Mass477.18
IUPAC Name3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cn3cc(S(=O)(=O)C(C)(C)C)ccc3n2)c1
InChIInChI=1S/C25H27N5O3S/c1-16-5-6-17(24(31)27-19-7-8-19)11-21(16)18-12-26-30(13-18)23-15-29-14-20(9-10-22(29)28-23)34(32,33)25(2,3)4/h5-6,9-15,19H,7-8H2,1-4H3,(H,27,31)
InChIKeyLPFSNSWLDOTHOA-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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Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide?
The IUPAC name of 3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide (CID 134328438) is 3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide.
What is the SMILES notation for 3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide?
The canonical SMILES for 3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cn3cc(S(=O)(=O)C(C)(C)C)ccc3n2)c1.
What is the InChIKey of 3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide?
The InChIKey is LPFSNSWLDOTHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3S/c1-16-5-6-17(24(31)27-19-7-8-19)11-21(16)18-12-26-30(13-18)23-15-29-14-20(9-10-22(29)28-23)34(32,33)25(2,3)4/h5-6,9-15,19H,7-8H2,1-4H3,(H,27,31).
What are the key properties of 3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide?
3-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-2-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-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 134328438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).