N-(cyclopropylmethyl)-3-(4-methylsulfonylpiperazin-1-yl)indolizine-6-carboxamide

C18H24N4O3S — CID 97448060

IUPACN-(cyclopropylmethyl)-3-(4-methylsulfonylpiperazin-1-yl)indolizine-6-carboxamide
SMILESCS(=O)(=O)N1CCN(c2ccc3ccc(C(=O)NCC4CC4)cn23)CC1
InChIInChI=1S/C18H24N4O3S/c1-26(24,25)21-10-8-20(9-11-21)17-7-6-16-5-4-15(13-22(16)17)18(23)19-12-14-2-3-14/h4-7,13-14H,2-3,8-12H2,1H3,(H,19,23)
InChIKeyKLWGPKPUEQVNPP-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.16
Rot. Bonds5

About N-(cyclopropylmethyl)-3-(4-methylsulfonylpiperazin-1-yl)indolizine-6-carboxamide

N-(cyclopropylmethyl)-3-(4-methylsulfonylpiperazin-1-yl)indolizine-6-carboxamide (PubChem CID 97448060) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-(4-methylsulfonylpiperazin-1-yl)indolizine-6-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-(4-methylsulfonylpiperazin-1-yl)indolizine-6-carboxamide
PubChem CID97448060
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-(cyclopropylmethyl)-3-(4-methylsulfonylpiperazin-1-yl)indolizine-6-carboxamide
SMILESCS(=O)(=O)N1CCN(c2ccc3ccc(C(=O)NCC4CC4)cn23)CC1
InChIInChI=1S/C18H24N4O3S/c1-26(24,25)21-10-8-20(9-11-21)17-7-6-16-5-4-15(13-22(16)17)18(23)19-12-14-2-3-14/h4-7,13-14H,2-3,8-12H2,1H3,(H,19,23)
InChIKeyKLWGPKPUEQVNPP-UHFFFAOYSA-N
XLogP1.16
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)indolizine-6-carboxamide
CID 97362437
N-(3-fluorophenyl)-3-(4-methylsulfonylpiperazin-1-yl)indolizine-6-carboxamide
CID 97448077
3-(4-methylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)indolizine-6-carboxamide
CID 97447891
N-cyclopentyl-6-(4-methylsulfonylpiperazin-1-yl)pyrrolo[1,2-a]pyrimidine-3-carboxamide
CID 134158091
3-(4-acetylpiperazin-1-yl)-N-(2-phenylethyl)indolizine-6-carboxamide
CID 97447966
3-(4-methylpiperidin-1-yl)-N-(2-pyridin-2-ylethyl)indolizine-6-carboxamide
CID 97407087
N-[2-(3-fluorophenyl)ethyl]-3-(4-methylpiperidin-1-yl)indolizine-6-carboxamide
CID 97441664
N-cyclopropyl-3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]indolizine-6-carboxamide
CID 97448022
N-[(5-methylfuran-2-yl)methyl]-3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]indolizine-6-carboxamide
CID 97448038
4-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)benzamide
CID 2666739
N-[[4-(aminomethyl)cyclohexyl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 126803241
3-tert-butyl-N-(cyclopropylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134796654

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-(4-methylsulfonylpiperazin-1-yl)indolizine-6-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-3-(4-methylsulfonylpiperazin-1-yl)indolizine-6-carboxamide (CID 97448060) is N-(cyclopropylmethyl)-3-(4-methylsulfonylpiperazin-1-yl)indolizine-6-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-(4-methylsulfonylpiperazin-1-yl)indolizine-6-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-(4-methylsulfonylpiperazin-1-yl)indolizine-6-carboxamide is CS(=O)(=O)N1CCN(c2ccc3ccc(C(=O)NCC4CC4)cn23)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-3-(4-methylsulfonylpiperazin-1-yl)indolizine-6-carboxamide?
The InChIKey is KLWGPKPUEQVNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-26(24,25)21-10-8-20(9-11-21)17-7-6-16-5-4-15(13-22(16)17)18(23)19-12-14-2-3-14/h4-7,13-14H,2-3,8-12H2,1H3,(H,19,23).
What are the key properties of N-(cyclopropylmethyl)-3-(4-methylsulfonylpiperazin-1-yl)indolizine-6-carboxamide?
N-(cyclopropylmethyl)-3-(4-methylsulfonylpiperazin-1-yl)indolizine-6-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-(4-methylsulfonylpiperazin-1-yl)indolizine-6-carboxamide is sourced from PubChem (CID 97448060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).