3-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one

C23H17FN4O — CID 121275723

IUPAC3-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one
SMILESC=C1Cc2cc(-c3ccc(Cn4cnc5cccnc5c4=O)c(F)c3)ccc2N1
InChIInChI=1S/C23H17FN4O/c1-14-9-18-10-15(6-7-20(18)27-14)16-4-5-17(19(24)11-16)12-28-13-26-21-3-2-8-25-22(21)23(28)29/h2-8,10-11,13,27H,1,9,12H2
InChIKeyLCXGSLZGVFRJEX-UHFFFAOYSA-N
MW384.41 g/mol
LogP4.13
Rot. Bonds3

About 3-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one

3-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one (PubChem CID 121275723) has the molecular formula C23H17FN4O and a molecular weight of 384.41 g/mol. Its IUPAC name is 3-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one
PubChem CID121275723
Molecular FormulaC23H17FN4O
Molecular Weight384.41 g/mol
Exact Mass384.14
IUPAC Name3-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one
SMILESC=C1Cc2cc(-c3ccc(Cn4cnc5cccnc5c4=O)c(F)c3)ccc2N1
InChIInChI=1S/C23H17FN4O/c1-14-9-18-10-15(6-7-20(18)27-14)16-4-5-17(19(24)11-16)12-28-13-26-21-3-2-8-25-22(21)23(28)29/h2-8,10-11,13,27H,1,9,12H2
InChIKeyLCXGSLZGVFRJEX-UHFFFAOYSA-N
XLogP4.13
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one (CID 121275723) is 3-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one is C=C1Cc2cc(-c3ccc(Cn4cnc5cccnc5c4=O)c(F)c3)ccc2N1.
What is the InChIKey of 3-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is LCXGSLZGVFRJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O/c1-14-9-18-10-15(6-7-20(18)27-14)16-4-5-17(19(24)11-16)12-28-13-26-21-3-2-8-25-22(21)23(28)29/h2-8,10-11,13,27H,1,9,12H2.
What are the key properties of 3-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one?
3-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 384.41 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 121275723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).