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

C26H28N6O3S — CID 134328488

IUPACN-cyclopropyl-4-methyl-3-[1-(6-piperidin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(S(=O)(=O)C4CCNCC4)cn23)c1
InChIInChI=1S/C26H28N6O3S/c1-17-2-3-18(26(33)30-20-4-5-20)12-23(17)19-13-29-32(15-19)25-14-28-24-7-6-22(16-31(24)25)36(34,35)21-8-10-27-11-9-21/h2-3,6-7,12-16,20-21,27H,4-5,8-11H2,1H3,(H,30,33)
InChIKeyYMPXEEGIIYDADO-UHFFFAOYSA-N
MW504.62 g/mol
LogP2.91
Rot. Bonds6

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

N-cyclopropyl-4-methyl-3-[1-(6-piperidin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide (PubChem CID 134328488) has the molecular formula C26H28N6O3S and a molecular weight of 504.62 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[1-(6-piperidin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[1-(6-piperidin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide
PubChem CID134328488
Molecular FormulaC26H28N6O3S
Molecular Weight504.62 g/mol
Exact Mass504.19
IUPAC NameN-cyclopropyl-4-methyl-3-[1-(6-piperidin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(S(=O)(=O)C4CCNCC4)cn23)c1
InChIInChI=1S/C26H28N6O3S/c1-17-2-3-18(26(33)30-20-4-5-20)12-23(17)19-13-29-32(15-19)25-14-28-24-7-6-22(16-31(24)25)36(34,35)21-8-10-27-11-9-21/h2-3,6-7,12-16,20-21,27H,4-5,8-11H2,1H3,(H,30,33)
InChIKeyYMPXEEGIIYDADO-UHFFFAOYSA-N
XLogP2.91
TPSA110.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.62
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[1-(6-piperidin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[1-(6-piperidin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide (CID 134328488) is N-cyclopropyl-4-methyl-3-[1-(6-piperidin-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-piperidin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[1-(6-piperidin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(S(=O)(=O)C4CCNCC4)cn23)c1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[1-(6-piperidin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide?
The InChIKey is YMPXEEGIIYDADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3S/c1-17-2-3-18(26(33)30-20-4-5-20)12-23(17)19-13-29-32(15-19)25-14-28-24-7-6-22(16-31(24)25)36(34,35)21-8-10-27-11-9-21/h2-3,6-7,12-16,20-21,27H,4-5,8-11H2,1H3,(H,30,33).
What are the key properties of N-cyclopropyl-4-methyl-3-[1-(6-piperidin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide?
N-cyclopropyl-4-methyl-3-[1-(6-piperidin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide has a molecular weight of 504.62 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[1-(6-piperidin-4-ylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 134328488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).