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

C25H26N6O4S — CID 134328456

IUPACN-cyclopropyl-4-methyl-3-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(S(=O)(=O)N4CCOCC4)cn23)c1
InChIInChI=1S/C25H26N6O4S/c1-17-2-3-18(25(32)28-20-4-5-20)12-22(17)19-13-27-31(15-19)24-14-26-23-7-6-21(16-30(23)24)36(33,34)29-8-10-35-11-9-29/h2-3,6-7,12-16,20H,4-5,8-11H2,1H3,(H,28,32)
InChIKeyWSJAIZXGTCKPBF-UHFFFAOYSA-N
MW506.59 g/mol
LogP2.41
Rot. Bonds6

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

N-cyclopropyl-4-methyl-3-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide (PubChem CID 134328456) has the molecular formula C25H26N6O4S and a molecular weight of 506.59 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide
PubChem CID134328456
Molecular FormulaC25H26N6O4S
Molecular Weight506.59 g/mol
Exact Mass506.17
IUPAC NameN-cyclopropyl-4-methyl-3-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(S(=O)(=O)N4CCOCC4)cn23)c1
InChIInChI=1S/C25H26N6O4S/c1-17-2-3-18(25(32)28-20-4-5-20)12-22(17)19-13-27-31(15-19)24-14-26-23-7-6-21(16-30(23)24)36(33,34)29-8-10-35-11-9-29/h2-3,6-7,12-16,20H,4-5,8-11H2,1H3,(H,28,32)
InChIKeyWSJAIZXGTCKPBF-UHFFFAOYSA-N
XLogP2.41
TPSA110.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.59
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide (CID 134328456) is N-cyclopropyl-4-methyl-3-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(S(=O)(=O)N4CCOCC4)cn23)c1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide?
The InChIKey is WSJAIZXGTCKPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O4S/c1-17-2-3-18(25(32)28-20-4-5-20)12-22(17)19-13-27-31(15-19)24-14-26-23-7-6-21(16-30(23)24)36(33,34)29-8-10-35-11-9-29/h2-3,6-7,12-16,20H,4-5,8-11H2,1H3,(H,28,32).
What are the key properties of N-cyclopropyl-4-methyl-3-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide?
N-cyclopropyl-4-methyl-3-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide has a molecular weight of 506.59 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[1-(6-morpholin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 134328456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).