1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-2,3-dihydroindol-1-yl]-2-(4-fluorophenyl)ethanone

C23H19F2N5O — CID 53469264

IUPAC1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-2,3-dihydroindol-1-yl]-2-(4-fluorophenyl)ethanone
SMILESCn1cc(-c2ccc3c(c2F)CCN3C(=O)Cc2ccc(F)cc2)c2c(N)ncnc21
InChIInChI=1S/C23H19F2N5O/c1-29-11-17(20-22(26)27-12-28-23(20)29)15-6-7-18-16(21(15)25)8-9-30(18)19(31)10-13-2-4-14(24)5-3-13/h2-7,11-12H,8-10H2,1H3,(H2,26,27,28)
InChIKeySVGSTQQZIWQJIP-UHFFFAOYSA-N
MW419.44 g/mol
LogP3.63
Rot. Bonds3

About 1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-2,3-dihydroindol-1-yl]-2-(4-fluorophenyl)ethanone

1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-2,3-dihydroindol-1-yl]-2-(4-fluorophenyl)ethanone (PubChem CID 53469264) has the molecular formula C23H19F2N5O and a molecular weight of 419.44 g/mol. Its IUPAC name is 1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-2,3-dihydroindol-1-yl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-2,3-dihydroindol-1-yl]-2-(4-fluorophenyl)ethanone
PubChem CID53469264
Molecular FormulaC23H19F2N5O
Molecular Weight419.44 g/mol
Exact Mass419.16
IUPAC Name1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-2,3-dihydroindol-1-yl]-2-(4-fluorophenyl)ethanone
SMILESCn1cc(-c2ccc3c(c2F)CCN3C(=O)Cc2ccc(F)cc2)c2c(N)ncnc21
InChIInChI=1S/C23H19F2N5O/c1-29-11-17(20-22(26)27-12-28-23(20)29)15-6-7-18-16(21(15)25)8-9-30(18)19(31)10-13-2-4-14(24)5-3-13/h2-7,11-12H,8-10H2,1H3,(H2,26,27,28)
InChIKeySVGSTQQZIWQJIP-UHFFFAOYSA-N
XLogP3.63
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-2,3-dihydroindol-1-yl]-2-(4-fluorophenyl)ethanone with MolForge

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Related Compounds

1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-2,3-dihydroindol-1-yl]-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone
CID 66823520
1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 66823715
1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-2,3-dihydroindol-1-yl]-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 53469060
1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-2,3-dihydroindol-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 53469061
1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-(3,5-dichlorophenyl)ethanone
CID 66823605
1-[5-[4-amino-7-(1-methylpiperidin-3-yl)pyrrolo[2,3-d]pyrimidin-5-yl]-4-fluoro-2,3-dihydroindol-1-yl]-2-[2-fluoro-5-(trifluoromethyl)phenyl]ethanone
CID 165397637
1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-(2,5-dimethylphenyl)ethanone
CID 53468253
1-[5-[4-amino-7-(3-methylbutyl)pyrrolo[2,3-d]pyrimidin-5-yl]-2,3-dihydroindol-1-yl]-2-(2,5-difluorophenyl)ethanone
CID 53468470
7-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 155723183
N-[3-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-2,5-difluorobenzenesulfonamide
CID 138707698
1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-3-[(3-fluoro-5-methylphenyl)methyl]imidazolidin-2-one
CID 126711898
1-[5-[4-amino-7-(azetidin-3-yl)pyrrolo[2,3-d]pyrimidin-5-yl]-2,3-dihydroindol-1-yl]-2-(3-methylphenyl)ethanone
CID 66824049

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-2,3-dihydroindol-1-yl]-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-2,3-dihydroindol-1-yl]-2-(4-fluorophenyl)ethanone (CID 53469264) is 1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-2,3-dihydroindol-1-yl]-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-2,3-dihydroindol-1-yl]-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-2,3-dihydroindol-1-yl]-2-(4-fluorophenyl)ethanone is Cn1cc(-c2ccc3c(c2F)CCN3C(=O)Cc2ccc(F)cc2)c2c(N)ncnc21.
What is the InChIKey of 1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-2,3-dihydroindol-1-yl]-2-(4-fluorophenyl)ethanone?
The InChIKey is SVGSTQQZIWQJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N5O/c1-29-11-17(20-22(26)27-12-28-23(20)29)15-6-7-18-16(21(15)25)8-9-30(18)19(31)10-13-2-4-14(24)5-3-13/h2-7,11-12H,8-10H2,1H3,(H2,26,27,28).
What are the key properties of 1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-2,3-dihydroindol-1-yl]-2-(4-fluorophenyl)ethanone?
1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-2,3-dihydroindol-1-yl]-2-(4-fluorophenyl)ethanone has a molecular weight of 419.44 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-2,3-dihydroindol-1-yl]-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 53469264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).