7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-9-(2-fluorophenyl)-2-methyl-8-oxopurine-6-carboxamide

C23H19FN6O3 — CID 95855962

IUPAC7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-9-(2-fluorophenyl)-2-methyl-8-oxopurine-6-carboxamide
SMILESCc1nc(C(N)=O)c2c(n1)n(-c1ccccc1F)c(=O)n2CC(=O)N1CCc2ccccc21
InChIInChI=1S/C23H19FN6O3/c1-13-26-19(21(25)32)20-22(27-13)30(17-9-5-3-7-15(17)24)23(33)29(20)12-18(31)28-11-10-14-6-2-4-8-16(14)28/h2-9H,10-12H2,1H3,(H2,25,32)
InChIKeyRYFXYVDKLXPPEY-UHFFFAOYSA-N
MW446.44 g/mol
LogP1.72
Rot. Bonds4

About 7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-9-(2-fluorophenyl)-2-methyl-8-oxopurine-6-carboxamide

7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-9-(2-fluorophenyl)-2-methyl-8-oxopurine-6-carboxamide (PubChem CID 95855962) has the molecular formula C23H19FN6O3 and a molecular weight of 446.44 g/mol. Its IUPAC name is 7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-9-(2-fluorophenyl)-2-methyl-8-oxopurine-6-carboxamide.

Molecular Properties

Compound Name7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-9-(2-fluorophenyl)-2-methyl-8-oxopurine-6-carboxamide
PubChem CID95855962
Molecular FormulaC23H19FN6O3
Molecular Weight446.44 g/mol
Exact Mass446.15
IUPAC Name7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-9-(2-fluorophenyl)-2-methyl-8-oxopurine-6-carboxamide
SMILESCc1nc(C(N)=O)c2c(n1)n(-c1ccccc1F)c(=O)n2CC(=O)N1CCc2ccccc21
InChIInChI=1S/C23H19FN6O3/c1-13-26-19(21(25)32)20-22(27-13)30(17-9-5-3-7-15(17)24)23(33)29(20)12-18(31)28-11-10-14-6-2-4-8-16(14)28/h2-9H,10-12H2,1H3,(H2,25,32)
InChIKeyRYFXYVDKLXPPEY-UHFFFAOYSA-N
XLogP1.72
TPSA116.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.44
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-9-(2-fluorophenyl)-2-methyl-8-oxopurine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-9-(2-fluorophenyl)-2-methyl-8-oxopurine-6-carboxamide
CID 110236919
1-(2,3-dihydroindol-1-yl)-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanone
CID 18165365
5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-1-phenyl-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 2341331
1-(2,3-dihydroindol-1-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 110484520
1-(2,3-dihydroindol-1-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanone
CID 110677413
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2-fluorophenyl)benzimidazol-1-yl]ethanone
CID 17002228
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide
CID 110606147
3-amino-1-(2,3-dihydroindol-1-yl)-3-methylbutan-1-one
CID 64686330
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylethanone
CID 3245732
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]quinoxalin-2-one
CID 2425815
2-[3-(2-aminopropyl)-2-methylindol-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 170893839

Frequently Asked Questions

What is the IUPAC name of 7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-9-(2-fluorophenyl)-2-methyl-8-oxopurine-6-carboxamide?
The IUPAC name of 7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-9-(2-fluorophenyl)-2-methyl-8-oxopurine-6-carboxamide (CID 95855962) is 7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-9-(2-fluorophenyl)-2-methyl-8-oxopurine-6-carboxamide.
What is the SMILES notation for 7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-9-(2-fluorophenyl)-2-methyl-8-oxopurine-6-carboxamide?
The canonical SMILES for 7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-9-(2-fluorophenyl)-2-methyl-8-oxopurine-6-carboxamide is Cc1nc(C(N)=O)c2c(n1)n(-c1ccccc1F)c(=O)n2CC(=O)N1CCc2ccccc21.
What is the InChIKey of 7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-9-(2-fluorophenyl)-2-methyl-8-oxopurine-6-carboxamide?
The InChIKey is RYFXYVDKLXPPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN6O3/c1-13-26-19(21(25)32)20-22(27-13)30(17-9-5-3-7-15(17)24)23(33)29(20)12-18(31)28-11-10-14-6-2-4-8-16(14)28/h2-9H,10-12H2,1H3,(H2,25,32).
What are the key properties of 7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-9-(2-fluorophenyl)-2-methyl-8-oxopurine-6-carboxamide?
7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-9-(2-fluorophenyl)-2-methyl-8-oxopurine-6-carboxamide has a molecular weight of 446.44 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-9-(2-fluorophenyl)-2-methyl-8-oxopurine-6-carboxamide is sourced from PubChem (CID 95855962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).