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

C23H21N5O2 — CID 134328538

IUPAC3-[1-(6-acetylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCC(=O)c1ccc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)n2c1
InChIInChI=1S/C23H21N5O2/c1-14-3-4-16(23(30)26-19-6-7-19)9-20(14)18-10-25-28(13-18)22-11-24-21-8-5-17(15(2)29)12-27(21)22/h3-5,8-13,19H,6-7H2,1-2H3,(H,26,30)
InChIKeyOWKPOWLDLRMHMS-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.59
Rot. Bonds5

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

3-[1-(6-acetylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide (PubChem CID 134328538) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 3-[1-(6-acetylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[1-(6-acetylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide
PubChem CID134328538
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name3-[1-(6-acetylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCC(=O)c1ccc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)n2c1
InChIInChI=1S/C23H21N5O2/c1-14-3-4-16(23(30)26-19-6-7-19)9-20(14)18-10-25-28(13-18)22-11-24-21-8-5-17(15(2)29)12-27(21)22/h3-5,8-13,19H,6-7H2,1-2H3,(H,26,30)
InChIKeyOWKPOWLDLRMHMS-UHFFFAOYSA-N
XLogP3.59
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-acetylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide?
The IUPAC name of 3-[1-(6-acetylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide (CID 134328538) is 3-[1-(6-acetylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide.
What is the SMILES notation for 3-[1-(6-acetylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide?
The canonical SMILES for 3-[1-(6-acetylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide is CC(=O)c1ccc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)n2c1.
What is the InChIKey of 3-[1-(6-acetylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide?
The InChIKey is OWKPOWLDLRMHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-14-3-4-16(23(30)26-19-6-7-19)9-20(14)18-10-25-28(13-18)22-11-24-21-8-5-17(15(2)29)12-27(21)22/h3-5,8-13,19H,6-7H2,1-2H3,(H,26,30).
What are the key properties of 3-[1-(6-acetylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide?
3-[1-(6-acetylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide has a molecular weight of 399.45 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-acetylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 134328538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).