2-(2,3-dihydroindol-1-yl)-5-(4-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one

C21H15FN4O — CID 135904323

IUPAC2-(2,3-dihydroindol-1-yl)-5-(4-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(N2CCc3ccccc32)nc2nccc(-c3ccc(F)cc3)c12
InChIInChI=1S/C21H15FN4O/c22-15-7-5-13(6-8-15)16-9-11-23-19-18(16)20(27)25-21(24-19)26-12-10-14-3-1-2-4-17(14)26/h1-9,11H,10,12H2,(H,23,24,25,27)
InChIKeyRGBCYNYVXCSBRO-UHFFFAOYSA-N
MW358.38 g/mol
LogP3.82
Rot. Bonds2

About 2-(2,3-dihydroindol-1-yl)-5-(4-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one

2-(2,3-dihydroindol-1-yl)-5-(4-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 135904323) has the molecular formula C21H15FN4O and a molecular weight of 358.38 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-5-(4-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-5-(4-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID135904323
Molecular FormulaC21H15FN4O
Molecular Weight358.38 g/mol
Exact Mass358.12
IUPAC Name2-(2,3-dihydroindol-1-yl)-5-(4-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(N2CCc3ccccc32)nc2nccc(-c3ccc(F)cc3)c12
InChIInChI=1S/C21H15FN4O/c22-15-7-5-13(6-8-15)16-9-11-23-19-18(16)20(27)25-21(24-19)26-12-10-14-3-1-2-4-17(14)26/h1-9,11H,10,12H2,(H,23,24,25,27)
InChIKeyRGBCYNYVXCSBRO-UHFFFAOYSA-N
XLogP3.82
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-5-(4-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-5-(4-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one (CID 135904323) is 2-(2,3-dihydroindol-1-yl)-5-(4-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-5-(4-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-5-(4-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one is O=c1[nH]c(N2CCc3ccccc32)nc2nccc(-c3ccc(F)cc3)c12.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-5-(4-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is RGBCYNYVXCSBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O/c22-15-7-5-13(6-8-15)16-9-11-23-19-18(16)20(27)25-21(24-19)26-12-10-14-3-1-2-4-17(14)26/h1-9,11H,10,12H2,(H,23,24,25,27).
What are the key properties of 2-(2,3-dihydroindol-1-yl)-5-(4-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
2-(2,3-dihydroindol-1-yl)-5-(4-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 358.38 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-5-(4-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135904323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).