5-[1-(6-tert-butylsulfinylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide

C25H26FN5O2S — CID 155015519

IUPAC5-[1-(6-tert-butylsulfinylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide
SMILESCc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(S(=O)C(C)(C)C)cn23)c1
InChIInChI=1S/C25H26FN5O2S/c1-15-9-21(26)20(24(32)29-17-5-6-17)10-19(15)16-11-28-31(13-16)23-12-27-22-8-7-18(14-30(22)23)34(33)25(2,3)4/h7-14,17H,5-6H2,1-4H3,(H,29,32)
InChIKeyKZTYCOBPUZZRAZ-UHFFFAOYSA-N
MW479.58 g/mol
LogP4.43
Rot. Bonds5

About 5-[1-(6-tert-butylsulfinylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide

5-[1-(6-tert-butylsulfinylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide (PubChem CID 155015519) has the molecular formula C25H26FN5O2S and a molecular weight of 479.58 g/mol. Its IUPAC name is 5-[1-(6-tert-butylsulfinylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name5-[1-(6-tert-butylsulfinylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide
PubChem CID155015519
Molecular FormulaC25H26FN5O2S
Molecular Weight479.58 g/mol
Exact Mass479.18
IUPAC Name5-[1-(6-tert-butylsulfinylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide
SMILESCc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(S(=O)C(C)(C)C)cn23)c1
InChIInChI=1S/C25H26FN5O2S/c1-15-9-21(26)20(24(32)29-17-5-6-17)10-19(15)16-11-28-31(13-16)23-12-27-22-8-7-18(14-30(22)23)34(33)25(2,3)4/h7-14,17H,5-6H2,1-4H3,(H,29,32)
InChIKeyKZTYCOBPUZZRAZ-UHFFFAOYSA-N
XLogP4.43
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(6-tert-butylsulfinylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide?
The IUPAC name of 5-[1-(6-tert-butylsulfinylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide (CID 155015519) is 5-[1-(6-tert-butylsulfinylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide.
What is the SMILES notation for 5-[1-(6-tert-butylsulfinylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide?
The canonical SMILES for 5-[1-(6-tert-butylsulfinylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide is Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(S(=O)C(C)(C)C)cn23)c1.
What is the InChIKey of 5-[1-(6-tert-butylsulfinylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide?
The InChIKey is KZTYCOBPUZZRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O2S/c1-15-9-21(26)20(24(32)29-17-5-6-17)10-19(15)16-11-28-31(13-16)23-12-27-22-8-7-18(14-30(22)23)34(33)25(2,3)4/h7-14,17H,5-6H2,1-4H3,(H,29,32).
What are the key properties of 5-[1-(6-tert-butylsulfinylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide?
5-[1-(6-tert-butylsulfinylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide has a molecular weight of 479.58 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(6-tert-butylsulfinylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 155015519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).