N-(2,4-difluorophenyl)-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide

C20H20F2N4O — CID 97362374

IUPACN-(2,4-difluorophenyl)-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide
SMILESCN1CCN(c2ccc3ccc(C(=O)Nc4ccc(F)cc4F)cn23)CC1
InChIInChI=1S/C20H20F2N4O/c1-24-8-10-25(11-9-24)19-7-5-16-4-2-14(13-26(16)19)20(27)23-18-6-3-15(21)12-17(18)22/h2-7,12-13H,8-11H2,1H3,(H,23,27)
InChIKeyCPRWTCQBBWPJTI-UHFFFAOYSA-N
MW370.40 g/mol
LogP3.22
Rot. Bonds3

About N-(2,4-difluorophenyl)-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide

N-(2,4-difluorophenyl)-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide (PubChem CID 97362374) has the molecular formula C20H20F2N4O and a molecular weight of 370.40 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide
PubChem CID97362374
Molecular FormulaC20H20F2N4O
Molecular Weight370.40 g/mol
Exact Mass370.16
IUPAC NameN-(2,4-difluorophenyl)-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide
SMILESCN1CCN(c2ccc3ccc(C(=O)Nc4ccc(F)cc4F)cn23)CC1
InChIInChI=1S/C20H20F2N4O/c1-24-8-10-25(11-9-24)19-7-5-16-4-2-14(13-26(16)19)20(27)23-18-6-3-15(21)12-17(18)22/h2-7,12-13H,8-11H2,1H3,(H,23,27)
InChIKeyCPRWTCQBBWPJTI-UHFFFAOYSA-N
XLogP3.22
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
N-(3-fluorophenyl)-3-(4-methylsulfonylpiperazin-1-yl)indolizine-6-carboxamide
CID 97448077
N-(2,4-difluorophenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84574184
N-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
CID 9209583
N-(2,4-difluorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 48732675
N-(2,4-difluorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084394
N-(2,4-difluorophenyl)-4-morpholin-4-ylbenzamide
CID 53282259
N-(2,5-dimethylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)indolizine-6-carboxamide
CID 97362442
3,4-difluoro-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 37441848
4-(azepane-1-carbonyl)-N-(2,4-difluorophenyl)benzamide
CID 109049185
N-(2,4-difluorophenyl)-4-ethylbenzamide
CID 2478391
N-(2,4-difluorophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 26360019

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide (CID 97362374) is N-(2,4-difluorophenyl)-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide is CN1CCN(c2ccc3ccc(C(=O)Nc4ccc(F)cc4F)cn23)CC1.
What is the InChIKey of N-(2,4-difluorophenyl)-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide?
The InChIKey is CPRWTCQBBWPJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O/c1-24-8-10-25(11-9-24)19-7-5-16-4-2-14(13-26(16)19)20(27)23-18-6-3-15(21)12-17(18)22/h2-7,12-13H,8-11H2,1H3,(H,23,27).
What are the key properties of N-(2,4-difluorophenyl)-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide?
N-(2,4-difluorophenyl)-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide has a molecular weight of 370.40 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide is sourced from PubChem (CID 97362374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).