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

C26H29N7O3S — CID 134328485

IUPACN-cyclopropyl-4-methyl-3-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(S(=O)(=O)N4CCN(C)CC4)cn23)c1
InChIInChI=1S/C26H29N7O3S/c1-18-3-4-19(26(34)29-21-5-6-21)13-23(18)20-14-28-33(16-20)25-15-27-24-8-7-22(17-32(24)25)37(35,36)31-11-9-30(2)10-12-31/h3-4,7-8,13-17,21H,5-6,9-12H2,1-2H3,(H,29,34)
InChIKeyUBFVUWRCGZJKBA-UHFFFAOYSA-N
MW519.63 g/mol
LogP2.32
Rot. Bonds6

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

N-cyclopropyl-4-methyl-3-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide (PubChem CID 134328485) has the molecular formula C26H29N7O3S and a molecular weight of 519.63 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide
PubChem CID134328485
Molecular FormulaC26H29N7O3S
Molecular Weight519.63 g/mol
Exact Mass519.21
IUPAC NameN-cyclopropyl-4-methyl-3-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(S(=O)(=O)N4CCN(C)CC4)cn23)c1
InChIInChI=1S/C26H29N7O3S/c1-18-3-4-19(26(34)29-21-5-6-21)13-23(18)20-14-28-33(16-20)25-15-27-24-8-7-22(17-32(24)25)37(35,36)31-11-9-30(2)10-12-31/h3-4,7-8,13-17,21H,5-6,9-12H2,1-2H3,(H,29,34)
InChIKeyUBFVUWRCGZJKBA-UHFFFAOYSA-N
XLogP2.32
TPSA104.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.63
LogP ≤ 52.32
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-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide (CID 134328485) is N-cyclopropyl-4-methyl-3-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(S(=O)(=O)N4CCN(C)CC4)cn23)c1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide?
The InChIKey is UBFVUWRCGZJKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O3S/c1-18-3-4-19(26(34)29-21-5-6-21)13-23(18)20-14-28-33(16-20)25-15-27-24-8-7-22(17-32(24)25)37(35,36)31-11-9-30(2)10-12-31/h3-4,7-8,13-17,21H,5-6,9-12H2,1-2H3,(H,29,34).
What are the key properties of N-cyclopropyl-4-methyl-3-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide?
N-cyclopropyl-4-methyl-3-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide has a molecular weight of 519.63 g/mol, XLogP of 2.32, 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-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 134328485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).