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

C20H21FN4O3S — CID 97448077

IUPACN-(3-fluorophenyl)-3-(4-methylsulfonylpiperazin-1-yl)indolizine-6-carboxamide
SMILESCS(=O)(=O)N1CCN(c2ccc3ccc(C(=O)Nc4cccc(F)c4)cn23)CC1
InChIInChI=1S/C20H21FN4O3S/c1-29(27,28)24-11-9-23(10-12-24)19-8-7-18-6-5-15(14-25(18)19)20(26)22-17-4-2-3-16(21)13-17/h2-8,13-14H,9-12H2,1H3,(H,22,26)
InChIKeyDKQZWJINGJHNNN-UHFFFAOYSA-N
MW416.48 g/mol
LogP2.41
Rot. Bonds4

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

N-(3-fluorophenyl)-3-(4-methylsulfonylpiperazin-1-yl)indolizine-6-carboxamide (PubChem CID 97448077) has the molecular formula C20H21FN4O3S and a molecular weight of 416.48 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-(4-methylsulfonylpiperazin-1-yl)indolizine-6-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-(4-methylsulfonylpiperazin-1-yl)indolizine-6-carboxamide
PubChem CID97448077
Molecular FormulaC20H21FN4O3S
Molecular Weight416.48 g/mol
Exact Mass416.13
IUPAC NameN-(3-fluorophenyl)-3-(4-methylsulfonylpiperazin-1-yl)indolizine-6-carboxamide
SMILESCS(=O)(=O)N1CCN(c2ccc3ccc(C(=O)Nc4cccc(F)c4)cn23)CC1
InChIInChI=1S/C20H21FN4O3S/c1-29(27,28)24-11-9-23(10-12-24)19-8-7-18-6-5-15(14-25(18)19)20(26)22-17-4-2-3-16(21)13-17/h2-8,13-14H,9-12H2,1H3,(H,22,26)
InChIKeyDKQZWJINGJHNNN-UHFFFAOYSA-N
XLogP2.41
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 52.41
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)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 2987467
N-[2-(3-fluorophenyl)ethyl]-3-(4-methylpiperidin-1-yl)indolizine-6-carboxamide
CID 97441664
4-(azepan-1-ylsulfonyl)-N-(3-fluorophenyl)benzamide
CID 2665307
N-(3-fluorophenyl)-4-pyrrolidin-1-ylbenzamide
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N-(3-fluorophenyl)-4-(methylamino)benzamide
CID 62166900
N-(3-fluorophenyl)-2,5-dimethyl-1-(1-methylsulfonylpiperidin-4-yl)imidazole-4-carboxamide
CID 53181672
N-(3-methylphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43919041
4-bromo-N-(3-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1341863
4-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049444
methyl 4-[(3-fluorophenyl)carbamoyl]benzoate
CID 9412634
3-bromo-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 1421697

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-(4-methylsulfonylpiperazin-1-yl)indolizine-6-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-3-(4-methylsulfonylpiperazin-1-yl)indolizine-6-carboxamide (CID 97448077) is N-(3-fluorophenyl)-3-(4-methylsulfonylpiperazin-1-yl)indolizine-6-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-(4-methylsulfonylpiperazin-1-yl)indolizine-6-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-3-(4-methylsulfonylpiperazin-1-yl)indolizine-6-carboxamide is CS(=O)(=O)N1CCN(c2ccc3ccc(C(=O)Nc4cccc(F)c4)cn23)CC1.
What is the InChIKey of N-(3-fluorophenyl)-3-(4-methylsulfonylpiperazin-1-yl)indolizine-6-carboxamide?
The InChIKey is DKQZWJINGJHNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3S/c1-29(27,28)24-11-9-23(10-12-24)19-8-7-18-6-5-15(14-25(18)19)20(26)22-17-4-2-3-16(21)13-17/h2-8,13-14H,9-12H2,1H3,(H,22,26).
What are the key properties of N-(3-fluorophenyl)-3-(4-methylsulfonylpiperazin-1-yl)indolizine-6-carboxamide?
N-(3-fluorophenyl)-3-(4-methylsulfonylpiperazin-1-yl)indolizine-6-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-(4-methylsulfonylpiperazin-1-yl)indolizine-6-carboxamide is sourced from PubChem (CID 97448077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).