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

C23H23N5O3S — CID 134328521

IUPACN-cyclopropyl-3-[1-(6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-methylbenzamide
SMILESCCS(=O)(=O)c1ccc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)n2c1
InChIInChI=1S/C23H23N5O3S/c1-3-32(30,31)19-8-9-21-24-12-22(27(21)14-19)28-13-17(11-25-28)20-10-16(5-4-15(20)2)23(29)26-18-6-7-18/h4-5,8-14,18H,3,6-7H2,1-2H3,(H,26,29)
InChIKeyBTNQNPWAESEVSV-UHFFFAOYSA-N
MW449.54 g/mol
LogP3.18
Rot. Bonds6

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

N-cyclopropyl-3-[1-(6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-methylbenzamide (PubChem CID 134328521) has the molecular formula C23H23N5O3S and a molecular weight of 449.54 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-(6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-(6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-methylbenzamide
PubChem CID134328521
Molecular FormulaC23H23N5O3S
Molecular Weight449.54 g/mol
Exact Mass449.15
IUPAC NameN-cyclopropyl-3-[1-(6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-methylbenzamide
SMILESCCS(=O)(=O)c1ccc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)n2c1
InChIInChI=1S/C23H23N5O3S/c1-3-32(30,31)19-8-9-21-24-12-22(27(21)14-19)28-13-17(11-25-28)20-10-16(5-4-15(20)2)23(29)26-18-6-7-18/h4-5,8-14,18H,3,6-7H2,1-2H3,(H,26,29)
InChIKeyBTNQNPWAESEVSV-UHFFFAOYSA-N
XLogP3.18
TPSA98.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-(6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[1-(6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-methylbenzamide (CID 134328521) is N-cyclopropyl-3-[1-(6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[1-(6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[1-(6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-methylbenzamide is CCS(=O)(=O)c1ccc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)ccc4C)cn3)n2c1.
What is the InChIKey of N-cyclopropyl-3-[1-(6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-methylbenzamide?
The InChIKey is BTNQNPWAESEVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S/c1-3-32(30,31)19-8-9-21-24-12-22(27(21)14-19)28-13-17(11-25-28)20-10-16(5-4-15(20)2)23(29)26-18-6-7-18/h4-5,8-14,18H,3,6-7H2,1-2H3,(H,26,29).
What are the key properties of N-cyclopropyl-3-[1-(6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-methylbenzamide?
N-cyclopropyl-3-[1-(6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-methylbenzamide has a molecular weight of 449.54 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-(6-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-methylbenzamide is sourced from PubChem (CID 134328521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).