3-[1-(6-tert-butylsulfinyl-7-methoxyimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide

C26H29N5O3S — CID 155015416

IUPAC3-[1-(6-tert-butylsulfinyl-7-methoxyimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCOc1cc2nc(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)cn2cc1S(=O)C(C)(C)C
InChIInChI=1S/C26H29N5O3S/c1-16-6-7-17(25(32)28-19-8-9-19)10-20(16)18-12-27-31(13-18)24-15-30-14-22(35(33)26(2,3)4)21(34-5)11-23(30)29-24/h6-7,10-15,19H,8-9H2,1-5H3,(H,28,32)
InChIKeySGEYUSOESUCDIF-UHFFFAOYSA-N
MW491.62 g/mol
LogP4.30
Rot. Bonds6

About 3-[1-(6-tert-butylsulfinyl-7-methoxyimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide

3-[1-(6-tert-butylsulfinyl-7-methoxyimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide (PubChem CID 155015416) has the molecular formula C26H29N5O3S and a molecular weight of 491.62 g/mol. Its IUPAC name is 3-[1-(6-tert-butylsulfinyl-7-methoxyimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[1-(6-tert-butylsulfinyl-7-methoxyimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide
PubChem CID155015416
Molecular FormulaC26H29N5O3S
Molecular Weight491.62 g/mol
Exact Mass491.20
IUPAC Name3-[1-(6-tert-butylsulfinyl-7-methoxyimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCOc1cc2nc(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)cn2cc1S(=O)C(C)(C)C
InChIInChI=1S/C26H29N5O3S/c1-16-6-7-17(25(32)28-19-8-9-19)10-20(16)18-12-27-31(13-18)24-15-30-14-22(35(33)26(2,3)4)21(34-5)11-23(30)29-24/h6-7,10-15,19H,8-9H2,1-5H3,(H,28,32)
InChIKeySGEYUSOESUCDIF-UHFFFAOYSA-N
XLogP4.30
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.62
LogP ≤ 54.30
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-butylsulfinyl-7-methoxyimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide?
The IUPAC name of 3-[1-(6-tert-butylsulfinyl-7-methoxyimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide (CID 155015416) is 3-[1-(6-tert-butylsulfinyl-7-methoxyimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide.
What is the SMILES notation for 3-[1-(6-tert-butylsulfinyl-7-methoxyimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide?
The canonical SMILES for 3-[1-(6-tert-butylsulfinyl-7-methoxyimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide is COc1cc2nc(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)cn2cc1S(=O)C(C)(C)C.
What is the InChIKey of 3-[1-(6-tert-butylsulfinyl-7-methoxyimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide?
The InChIKey is SGEYUSOESUCDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3S/c1-16-6-7-17(25(32)28-19-8-9-19)10-20(16)18-12-27-31(13-18)24-15-30-14-22(35(33)26(2,3)4)21(34-5)11-23(30)29-24/h6-7,10-15,19H,8-9H2,1-5H3,(H,28,32).
What are the key properties of 3-[1-(6-tert-butylsulfinyl-7-methoxyimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide?
3-[1-(6-tert-butylsulfinyl-7-methoxyimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide has a molecular weight of 491.62 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-tert-butylsulfinyl-7-methoxyimidazo[1,2-a]pyridin-2-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 155015416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).