3-(4-methylsulfonylpiperazin-1-yl)-N-(2-pyrazol-1-ylethyl)indolizine-6-carboxamide

C19H24N6O3S — CID 134158193

IUPAC3-(4-methylsulfonylpiperazin-1-yl)-N-(2-pyrazol-1-ylethyl)indolizine-6-carboxamide
SMILESCS(=O)(=O)N1CCN(c2ccc3ccc(C(=O)NCCn4cccn4)cn23)CC1
InChIInChI=1S/C19H24N6O3S/c1-29(27,28)24-13-11-22(12-14-24)18-6-5-17-4-3-16(15-25(17)18)19(26)20-8-10-23-9-2-7-21-23/h2-7,9,15H,8,10-14H2,1H3,(H,20,26)
InChIKeyKYHQOMPJYGWESD-UHFFFAOYSA-N
MW416.51 g/mol
LogP0.65
Rot. Bonds6

About 3-(4-methylsulfonylpiperazin-1-yl)-N-(2-pyrazol-1-ylethyl)indolizine-6-carboxamide

3-(4-methylsulfonylpiperazin-1-yl)-N-(2-pyrazol-1-ylethyl)indolizine-6-carboxamide (PubChem CID 134158193) has the molecular formula C19H24N6O3S and a molecular weight of 416.51 g/mol. Its IUPAC name is 3-(4-methylsulfonylpiperazin-1-yl)-N-(2-pyrazol-1-ylethyl)indolizine-6-carboxamide.

Molecular Properties

Compound Name3-(4-methylsulfonylpiperazin-1-yl)-N-(2-pyrazol-1-ylethyl)indolizine-6-carboxamide
PubChem CID134158193
Molecular FormulaC19H24N6O3S
Molecular Weight416.51 g/mol
Exact Mass416.16
IUPAC Name3-(4-methylsulfonylpiperazin-1-yl)-N-(2-pyrazol-1-ylethyl)indolizine-6-carboxamide
SMILESCS(=O)(=O)N1CCN(c2ccc3ccc(C(=O)NCCn4cccn4)cn23)CC1
InChIInChI=1S/C19H24N6O3S/c1-29(27,28)24-13-11-22(12-14-24)18-6-5-17-4-3-16(15-25(17)18)19(26)20-8-10-23-9-2-7-21-23/h2-7,9,15H,8,10-14H2,1H3,(H,20,26)
InChIKeyKYHQOMPJYGWESD-UHFFFAOYSA-N
XLogP0.65
TPSA91.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfonylpiperazin-1-yl)-N-(2-pyrazol-1-ylethyl)indolizine-6-carboxamide?
The IUPAC name of 3-(4-methylsulfonylpiperazin-1-yl)-N-(2-pyrazol-1-ylethyl)indolizine-6-carboxamide (CID 134158193) is 3-(4-methylsulfonylpiperazin-1-yl)-N-(2-pyrazol-1-ylethyl)indolizine-6-carboxamide.
What is the SMILES notation for 3-(4-methylsulfonylpiperazin-1-yl)-N-(2-pyrazol-1-ylethyl)indolizine-6-carboxamide?
The canonical SMILES for 3-(4-methylsulfonylpiperazin-1-yl)-N-(2-pyrazol-1-ylethyl)indolizine-6-carboxamide is CS(=O)(=O)N1CCN(c2ccc3ccc(C(=O)NCCn4cccn4)cn23)CC1.
What is the InChIKey of 3-(4-methylsulfonylpiperazin-1-yl)-N-(2-pyrazol-1-ylethyl)indolizine-6-carboxamide?
The InChIKey is KYHQOMPJYGWESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3S/c1-29(27,28)24-13-11-22(12-14-24)18-6-5-17-4-3-16(15-25(17)18)19(26)20-8-10-23-9-2-7-21-23/h2-7,9,15H,8,10-14H2,1H3,(H,20,26).
What are the key properties of 3-(4-methylsulfonylpiperazin-1-yl)-N-(2-pyrazol-1-ylethyl)indolizine-6-carboxamide?
3-(4-methylsulfonylpiperazin-1-yl)-N-(2-pyrazol-1-ylethyl)indolizine-6-carboxamide has a molecular weight of 416.51 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylpiperazin-1-yl)-N-(2-pyrazol-1-ylethyl)indolizine-6-carboxamide is sourced from PubChem (CID 134158193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).