2-amino-3-benzoylindolizine-1-carboxamide;5-amino-3-(4-fluorobenzoyl)-2-methylindolizine-1-carboxamide

C33H27FN6O4 — CID 134519849

IUPAC2-amino-3-benzoylindolizine-1-carboxamide;5-amino-3-(4-fluorobenzoyl)-2-methylindolizine-1-carboxamide
SMILESCc1c(C(N)=O)c2cccc(N)n2c1C(=O)c1ccc(F)cc1.NC(=O)c1c(N)c(C(=O)c2ccccc2)n2ccccc12
InChIInChI=1S/C17H14FN3O2.C16H13N3O2/c1-9-14(17(20)23)12-3-2-4-13(19)21(12)15(9)16(22)10-5-7-11(18)8-6-10;17-13-12(16(18)21)11-8-4-5-9-19(11)14(13)15(20)10-6-2-1-3-7-10/h2-8H,19H2,1H3,(H2,20,23);1-9H,17H2,(H2,18,21)
InChIKeyXFMMUOBVGLFIKO-UHFFFAOYSA-N
MW590.62 g/mol
LogP4.15
Rot. Bonds6

About 2-amino-3-benzoylindolizine-1-carboxamide;5-amino-3-(4-fluorobenzoyl)-2-methylindolizine-1-carboxamide

2-amino-3-benzoylindolizine-1-carboxamide;5-amino-3-(4-fluorobenzoyl)-2-methylindolizine-1-carboxamide (PubChem CID 134519849) has the molecular formula C33H27FN6O4 and a molecular weight of 590.62 g/mol. Its IUPAC name is 2-amino-3-benzoylindolizine-1-carboxamide;5-amino-3-(4-fluorobenzoyl)-2-methylindolizine-1-carboxamide.

Molecular Properties

Compound Name2-amino-3-benzoylindolizine-1-carboxamide;5-amino-3-(4-fluorobenzoyl)-2-methylindolizine-1-carboxamide
PubChem CID134519849
Molecular FormulaC33H27FN6O4
Molecular Weight590.62 g/mol
Exact Mass590.21
IUPAC Name2-amino-3-benzoylindolizine-1-carboxamide;5-amino-3-(4-fluorobenzoyl)-2-methylindolizine-1-carboxamide
SMILESCc1c(C(N)=O)c2cccc(N)n2c1C(=O)c1ccc(F)cc1.NC(=O)c1c(N)c(C(=O)c2ccccc2)n2ccccc12
InChIInChI=1S/C17H14FN3O2.C16H13N3O2/c1-9-14(17(20)23)12-3-2-4-13(19)21(12)15(9)16(22)10-5-7-11(18)8-6-10;17-13-12(16(18)21)11-8-4-5-9-19(11)14(13)15(20)10-6-2-1-3-7-10/h2-8H,19H2,1H3,(H2,20,23);1-9H,17H2,(H2,18,21)
InChIKeyXFMMUOBVGLFIKO-UHFFFAOYSA-N
XLogP4.15
TPSA181.18 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500590.62
LogP ≤ 54.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

2-amino-3-(4-methoxybenzoyl)indolizine-1-carboxamide
CID 177255832
2-amino-N-(3-chlorophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide
CID 18576467
2-amino-N-(4-chlorophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide
CID 7294632
2-amino-N-(4-bromophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide
CID 18576437
2-amino-N-(4-ethylphenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide
CID 18576442
2-amino-3-(4-ethoxybenzoyl)-N-(4-fluorophenyl)indolizine-1-carboxamide
CID 18576512
(1-amino-2-methylindolizin-3-yl)-(4-aminophenyl)methanone
CID 141181646
ethyl N-[[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]carbamate
CID 2387590
(E)-(diaminomethylideneamino)-[[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylidene]azanium
CID 135775153
methyl 2-(1-benzoyl-2-methylindolizin-3-yl)-2-oxoacetate
CID 69122341
2-amino-3-(4-bromobenzoyl)-N-(3-methylphenyl)indolizine-1-carboxamide
CID 18576382
3-(diethylsulfamoyl)-N-[[3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]methylideneamino]benzamide
CID 2458333

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-benzoylindolizine-1-carboxamide;5-amino-3-(4-fluorobenzoyl)-2-methylindolizine-1-carboxamide?
The IUPAC name of 2-amino-3-benzoylindolizine-1-carboxamide;5-amino-3-(4-fluorobenzoyl)-2-methylindolizine-1-carboxamide (CID 134519849) is 2-amino-3-benzoylindolizine-1-carboxamide;5-amino-3-(4-fluorobenzoyl)-2-methylindolizine-1-carboxamide.
What is the SMILES notation for 2-amino-3-benzoylindolizine-1-carboxamide;5-amino-3-(4-fluorobenzoyl)-2-methylindolizine-1-carboxamide?
The canonical SMILES for 2-amino-3-benzoylindolizine-1-carboxamide;5-amino-3-(4-fluorobenzoyl)-2-methylindolizine-1-carboxamide is Cc1c(C(N)=O)c2cccc(N)n2c1C(=O)c1ccc(F)cc1.NC(=O)c1c(N)c(C(=O)c2ccccc2)n2ccccc12.
What is the InChIKey of 2-amino-3-benzoylindolizine-1-carboxamide;5-amino-3-(4-fluorobenzoyl)-2-methylindolizine-1-carboxamide?
The InChIKey is XFMMUOBVGLFIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2.C16H13N3O2/c1-9-14(17(20)23)12-3-2-4-13(19)21(12)15(9)16(22)10-5-7-11(18)8-6-10;17-13-12(16(18)21)11-8-4-5-9-19(11)14(13)15(20)10-6-2-1-3-7-10/h2-8H,19H2,1H3,(H2,20,23);1-9H,17H2,(H2,18,21).
What are the key properties of 2-amino-3-benzoylindolizine-1-carboxamide;5-amino-3-(4-fluorobenzoyl)-2-methylindolizine-1-carboxamide?
2-amino-3-benzoylindolizine-1-carboxamide;5-amino-3-(4-fluorobenzoyl)-2-methylindolizine-1-carboxamide has a molecular weight of 590.62 g/mol, XLogP of 4.15, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-benzoylindolizine-1-carboxamide;5-amino-3-(4-fluorobenzoyl)-2-methylindolizine-1-carboxamide is sourced from PubChem (CID 134519849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).