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

C21H15FN4O2 — CID 136953306

IUPAC2-[[1-(2-fluorophenyl)-2,3-dihydroindol-5-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(Oc2ccc3c(c2)CCN3c2ccccc2F)nc2cnccc12
InChIInChI=1S/C21H15FN4O2/c22-16-3-1-2-4-19(16)26-10-8-13-11-14(5-6-18(13)26)28-21-24-17-12-23-9-7-15(17)20(27)25-21/h1-7,9,11-12H,8,10H2,(H,24,25,27)
InChIKeyVOHJSEWTKGPURL-UHFFFAOYSA-N
MW374.38 g/mol
LogP3.94
Rot. Bonds3

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

2-[[1-(2-fluorophenyl)-2,3-dihydroindol-5-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 136953306) has the molecular formula C21H15FN4O2 and a molecular weight of 374.38 g/mol. Its IUPAC name is 2-[[1-(2-fluorophenyl)-2,3-dihydroindol-5-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[1-(2-fluorophenyl)-2,3-dihydroindol-5-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID136953306
Molecular FormulaC21H15FN4O2
Molecular Weight374.38 g/mol
Exact Mass374.12
IUPAC Name2-[[1-(2-fluorophenyl)-2,3-dihydroindol-5-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(Oc2ccc3c(c2)CCN3c2ccccc2F)nc2cnccc12
InChIInChI=1S/C21H15FN4O2/c22-16-3-1-2-4-19(16)26-10-8-13-11-14(5-6-18(13)26)28-21-24-17-12-23-9-7-15(17)20(27)25-21/h1-7,9,11-12H,8,10H2,(H,24,25,27)
InChIKeyVOHJSEWTKGPURL-UHFFFAOYSA-N
XLogP3.94
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-fluorophenyl)-2,3-dihydroindol-5-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-[[1-(2-fluorophenyl)-2,3-dihydroindol-5-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one (CID 136953306) is 2-[[1-(2-fluorophenyl)-2,3-dihydroindol-5-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-[[1-(2-fluorophenyl)-2,3-dihydroindol-5-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-[[1-(2-fluorophenyl)-2,3-dihydroindol-5-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one is O=c1[nH]c(Oc2ccc3c(c2)CCN3c2ccccc2F)nc2cnccc12.
What is the InChIKey of 2-[[1-(2-fluorophenyl)-2,3-dihydroindol-5-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is VOHJSEWTKGPURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O2/c22-16-3-1-2-4-19(16)26-10-8-13-11-14(5-6-18(13)26)28-21-24-17-12-23-9-7-15(17)20(27)25-21/h1-7,9,11-12H,8,10H2,(H,24,25,27).
What are the key properties of 2-[[1-(2-fluorophenyl)-2,3-dihydroindol-5-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one?
2-[[1-(2-fluorophenyl)-2,3-dihydroindol-5-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 374.38 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-fluorophenyl)-2,3-dihydroindol-5-yl]oxy]-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136953306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).