N-cyclopropyl-2-fluoro-4-methyl-5-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide

C25H25FN6O4S — CID 134328510

IUPACN-cyclopropyl-2-fluoro-4-methyl-5-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide
SMILESCc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(S(=O)(=O)N4CCOCC4)cn23)c1
InChIInChI=1S/C25H25FN6O4S/c1-16-10-22(26)21(25(33)29-18-2-3-18)11-20(16)17-12-28-32(14-17)24-13-27-23-5-4-19(15-31(23)24)37(34,35)30-6-8-36-9-7-30/h4-5,10-15,18H,2-3,6-9H2,1H3,(H,29,33)
InChIKeyJTIRIDXOVODXLI-UHFFFAOYSA-N
MW524.58 g/mol
LogP2.55
Rot. Bonds6

About N-cyclopropyl-2-fluoro-4-methyl-5-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide

N-cyclopropyl-2-fluoro-4-methyl-5-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide (PubChem CID 134328510) has the molecular formula C25H25FN6O4S and a molecular weight of 524.58 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-4-methyl-5-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-4-methyl-5-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide
PubChem CID134328510
Molecular FormulaC25H25FN6O4S
Molecular Weight524.58 g/mol
Exact Mass524.16
IUPAC NameN-cyclopropyl-2-fluoro-4-methyl-5-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide
SMILESCc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(S(=O)(=O)N4CCOCC4)cn23)c1
InChIInChI=1S/C25H25FN6O4S/c1-16-10-22(26)21(25(33)29-18-2-3-18)11-20(16)17-12-28-32(14-17)24-13-27-23-5-4-19(15-31(23)24)37(34,35)30-6-8-36-9-7-30/h4-5,10-15,18H,2-3,6-9H2,1H3,(H,29,33)
InChIKeyJTIRIDXOVODXLI-UHFFFAOYSA-N
XLogP2.55
TPSA110.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.58
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-fluoro-4-methyl-5-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-2-fluoro-4-methyl-5-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide (CID 134328510) is N-cyclopropyl-2-fluoro-4-methyl-5-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-2-fluoro-4-methyl-5-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-2-fluoro-4-methyl-5-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide is Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(S(=O)(=O)N4CCOCC4)cn23)c1.
What is the InChIKey of N-cyclopropyl-2-fluoro-4-methyl-5-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide?
The InChIKey is JTIRIDXOVODXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O4S/c1-16-10-22(26)21(25(33)29-18-2-3-18)11-20(16)17-12-28-32(14-17)24-13-27-23-5-4-19(15-31(23)24)37(34,35)30-6-8-36-9-7-30/h4-5,10-15,18H,2-3,6-9H2,1H3,(H,29,33).
What are the key properties of N-cyclopropyl-2-fluoro-4-methyl-5-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide?
N-cyclopropyl-2-fluoro-4-methyl-5-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide has a molecular weight of 524.58 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-fluoro-4-methyl-5-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 134328510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).