1-[5-(2-aminofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindol-1-yl]-2-(3-fluoro-5-methylphenyl)ethanone

C24H20FN3O2 — CID 67389511

IUPAC1-[5-(2-aminofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindol-1-yl]-2-(3-fluoro-5-methylphenyl)ethanone
SMILESCc1cc(F)cc(CC(=O)N2CCc3cc(-c4c(N)oc5ccncc45)ccc32)c1
InChIInChI=1S/C24H20FN3O2/c1-14-8-15(10-18(25)9-14)11-22(29)28-7-5-16-12-17(2-3-20(16)28)23-19-13-27-6-4-21(19)30-24(23)26/h2-4,6,8-10,12-13H,5,7,11,26H2,1H3
InChIKeyLNCCFABXPSIEKW-UHFFFAOYSA-N
MW401.44 g/mol
LogP4.66
Rot. Bonds3

About 1-[5-(2-aminofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindol-1-yl]-2-(3-fluoro-5-methylphenyl)ethanone

1-[5-(2-aminofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindol-1-yl]-2-(3-fluoro-5-methylphenyl)ethanone (PubChem CID 67389511) has the molecular formula C24H20FN3O2 and a molecular weight of 401.44 g/mol. Its IUPAC name is 1-[5-(2-aminofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindol-1-yl]-2-(3-fluoro-5-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[5-(2-aminofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindol-1-yl]-2-(3-fluoro-5-methylphenyl)ethanone
PubChem CID67389511
Molecular FormulaC24H20FN3O2
Molecular Weight401.44 g/mol
Exact Mass401.15
IUPAC Name1-[5-(2-aminofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindol-1-yl]-2-(3-fluoro-5-methylphenyl)ethanone
SMILESCc1cc(F)cc(CC(=O)N2CCc3cc(-c4c(N)oc5ccncc45)ccc32)c1
InChIInChI=1S/C24H20FN3O2/c1-14-8-15(10-18(25)9-14)11-22(29)28-7-5-16-12-17(2-3-20(16)28)23-19-13-27-6-4-21(19)30-24(23)26/h2-4,6,8-10,12-13H,5,7,11,26H2,1H3
InChIKeyLNCCFABXPSIEKW-UHFFFAOYSA-N
XLogP4.66
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-Diphenyl-N-(2-piperazin-1-ylethyl)furo(2,3-B)pyridin-4-amine
CID 11553058
N-[(2S)-oxolan-2-ylmethyl]-2,3-diphenylfuro[2,3-b]pyridin-4-amine
CID 11603130
(S)-5-(5-(2-amino-3-phenylpropoxy)pyridin-3-yl)-3-(furan-2-ylmethylene)indolin-2-one
CID 16731987
5-(3-(tert-butylcarbamoyl)phenyl)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 59233666
3-{1-[(2,5-difluorophenyl)acetyl]-2,3-dihydro-1H-indol-5-yl}furo[3,2-c]pyridin-4-amine
CID 66561011
1-[(4-Methoxyphenyl)methyl]-5-pyridin-4-ylindole-2,3-dione
CID 141372273
N-dibenzo[b,d]furan-3-ylisonicotinamide
CID 2833465
N-(4-methoxybenzyl)benzofuro[2,3-b]pyridin-4-amine
CID 50908681
N-(naphthalen-1-ylmethyl)benzofuro[2,3-b]pyridin-4-amine
CID 52948511
N-benzylbenzofuro[2,3-b]pyridin-4-amine
CID 52949707
(3-Methoxyphenyl)-(5-pyridin-3-yl-2,3-dihydroindol-1-yl)methanone
CID 90644550
6-(1-Furo[3,2-c]pyridin-4-yl-2,3-dihydroindol-5-yl)-1,5-dimethylpyrimidine-2,4-dione
CID 155521159

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-aminofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindol-1-yl]-2-(3-fluoro-5-methylphenyl)ethanone?
The IUPAC name of 1-[5-(2-aminofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindol-1-yl]-2-(3-fluoro-5-methylphenyl)ethanone (CID 67389511) is 1-[5-(2-aminofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindol-1-yl]-2-(3-fluoro-5-methylphenyl)ethanone.
What is the SMILES notation for 1-[5-(2-aminofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindol-1-yl]-2-(3-fluoro-5-methylphenyl)ethanone?
The canonical SMILES for 1-[5-(2-aminofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindol-1-yl]-2-(3-fluoro-5-methylphenyl)ethanone is Cc1cc(F)cc(CC(=O)N2CCc3cc(-c4c(N)oc5ccncc45)ccc32)c1.
What is the InChIKey of 1-[5-(2-aminofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindol-1-yl]-2-(3-fluoro-5-methylphenyl)ethanone?
The InChIKey is LNCCFABXPSIEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O2/c1-14-8-15(10-18(25)9-14)11-22(29)28-7-5-16-12-17(2-3-20(16)28)23-19-13-27-6-4-21(19)30-24(23)26/h2-4,6,8-10,12-13H,5,7,11,26H2,1H3.
What are the key properties of 1-[5-(2-aminofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindol-1-yl]-2-(3-fluoro-5-methylphenyl)ethanone?
1-[5-(2-aminofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindol-1-yl]-2-(3-fluoro-5-methylphenyl)ethanone has a molecular weight of 401.44 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-aminofuro[3,2-c]pyridin-3-yl)-2,3-dihydroindol-1-yl]-2-(3-fluoro-5-methylphenyl)ethanone is sourced from PubChem (CID 67389511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).