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

C26H28FN7O3S — CID 134328497

IUPACN-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide
SMILESCc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(S(=O)(=O)N4CCN(C)CC4)cn23)c1
InChIInChI=1S/C26H28FN7O3S/c1-17-11-23(27)22(26(35)30-19-3-4-19)12-21(17)18-13-29-34(15-18)25-14-28-24-6-5-20(16-33(24)25)38(36,37)32-9-7-31(2)8-10-32/h5-6,11-16,19H,3-4,7-10H2,1-2H3,(H,30,35)
InChIKeySHKKQCAEAUCRIR-UHFFFAOYSA-N
MW537.62 g/mol
LogP2.46
Rot. Bonds6

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

N-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide (PubChem CID 134328497) has the molecular formula C26H28FN7O3S and a molecular weight of 537.62 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide
PubChem CID134328497
Molecular FormulaC26H28FN7O3S
Molecular Weight537.62 g/mol
Exact Mass537.20
IUPAC NameN-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide
SMILESCc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(S(=O)(=O)N4CCN(C)CC4)cn23)c1
InChIInChI=1S/C26H28FN7O3S/c1-17-11-23(27)22(26(35)30-19-3-4-19)12-21(17)18-13-29-34(15-18)25-14-28-24-6-5-20(16-33(24)25)38(36,37)32-9-7-31(2)8-10-32/h5-6,11-16,19H,3-4,7-10H2,1-2H3,(H,30,35)
InChIKeySHKKQCAEAUCRIR-UHFFFAOYSA-N
XLogP2.46
TPSA104.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.62
LogP ≤ 52.46
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-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide (CID 134328497) is N-cyclopropyl-2-fluoro-4-methyl-5-[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-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide is Cc1cc(F)c(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(S(=O)(=O)N4CCN(C)CC4)cn23)c1.
What is the InChIKey of N-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide?
The InChIKey is SHKKQCAEAUCRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN7O3S/c1-17-11-23(27)22(26(35)30-19-3-4-19)12-21(17)18-13-29-34(15-18)25-14-28-24-6-5-20(16-33(24)25)38(36,37)32-9-7-31(2)8-10-32/h5-6,11-16,19H,3-4,7-10H2,1-2H3,(H,30,35).
What are the key properties of N-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide?
N-cyclopropyl-2-fluoro-4-methyl-5-[1-[6-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide has a molecular weight of 537.62 g/mol, XLogP of 2.46, 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-(4-methylpiperazin-1-yl)sulfonylimidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 134328497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).