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

C26H30FN5O3S — CID 155015438

IUPACN-butan-2-yl-5-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-2-fluoro-4-methylbenzamide
SMILESCCC(C)NC(=O)c1cc(-c2cnn(-c3cnc4ccc(S(=O)(=O)C(C)(C)C)cn34)c2)c(C)cc1F
InChIInChI=1S/C26H30FN5O3S/c1-7-17(3)30-25(33)21-11-20(16(2)10-22(21)27)18-12-29-32(14-18)24-13-28-23-9-8-19(15-31(23)24)36(34,35)26(4,5)6/h8-15,17H,7H2,1-6H3,(H,30,33)
InChIKeyGEFUCVXVGCOFOQ-UHFFFAOYSA-N
MW511.62 g/mol
LogP4.74
Rot. Bonds6

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

N-butan-2-yl-5-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-2-fluoro-4-methylbenzamide (PubChem CID 155015438) has the molecular formula C26H30FN5O3S and a molecular weight of 511.62 g/mol. Its IUPAC name is N-butan-2-yl-5-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-butan-2-yl-5-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-2-fluoro-4-methylbenzamide
PubChem CID155015438
Molecular FormulaC26H30FN5O3S
Molecular Weight511.62 g/mol
Exact Mass511.21
IUPAC NameN-butan-2-yl-5-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-2-fluoro-4-methylbenzamide
SMILESCCC(C)NC(=O)c1cc(-c2cnn(-c3cnc4ccc(S(=O)(=O)C(C)(C)C)cn34)c2)c(C)cc1F
InChIInChI=1S/C26H30FN5O3S/c1-7-17(3)30-25(33)21-11-20(16(2)10-22(21)27)18-12-29-32(14-18)24-13-28-23-9-8-19(15-31(23)24)36(34,35)26(4,5)6/h8-15,17H,7H2,1-6H3,(H,30,33)
InChIKeyGEFUCVXVGCOFOQ-UHFFFAOYSA-N
XLogP4.74
TPSA98.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.62
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
The IUPAC name of N-butan-2-yl-5-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-2-fluoro-4-methylbenzamide (CID 155015438) is N-butan-2-yl-5-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-2-fluoro-4-methylbenzamide.
What is the SMILES notation for N-butan-2-yl-5-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
The canonical SMILES for N-butan-2-yl-5-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-2-fluoro-4-methylbenzamide is CCC(C)NC(=O)c1cc(-c2cnn(-c3cnc4ccc(S(=O)(=O)C(C)(C)C)cn34)c2)c(C)cc1F.
What is the InChIKey of N-butan-2-yl-5-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
The InChIKey is GEFUCVXVGCOFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O3S/c1-7-17(3)30-25(33)21-11-20(16(2)10-22(21)27)18-12-29-32(14-18)24-13-28-23-9-8-19(15-31(23)24)36(34,35)26(4,5)6/h8-15,17H,7H2,1-6H3,(H,30,33).
What are the key properties of N-butan-2-yl-5-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-2-fluoro-4-methylbenzamide?
N-butan-2-yl-5-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-2-fluoro-4-methylbenzamide has a molecular weight of 511.62 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 155015438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).