[2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methanol

C20H18FN5O2 — CID 53378054

IUPAC[2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methanol
SMILESOCc1ccc2nc(-c3c(F)ccc4[nH]ccc34)nc(N3CCOCC3)c2n1
InChIInChI=1S/C20H18FN5O2/c21-14-2-4-15-13(5-6-22-15)17(14)19-24-16-3-1-12(11-27)23-18(16)20(25-19)26-7-9-28-10-8-26/h1-6,22,27H,7-11H2
InChIKeyGILXWCHQBOQUSV-UHFFFAOYSA-N
MW379.40 g/mol
LogP2.64
Rot. Bonds3

About [2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methanol

[2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methanol (PubChem CID 53378054) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is [2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methanol.

Molecular Properties

Compound Name[2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methanol
PubChem CID53378054
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC Name[2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methanol
SMILESOCc1ccc2nc(-c3c(F)ccc4[nH]ccc34)nc(N3CCOCC3)c2n1
InChIInChI=1S/C20H18FN5O2/c21-14-2-4-15-13(5-6-22-15)17(14)19-24-16-3-1-12(11-27)23-18(16)20(25-19)26-7-9-28-10-8-26/h1-6,22,27H,7-11H2
InChIKeyGILXWCHQBOQUSV-UHFFFAOYSA-N
XLogP2.64
TPSA87.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methanol?
The IUPAC name of [2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methanol (CID 53378054) is [2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methanol.
What is the SMILES notation for [2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methanol?
The canonical SMILES for [2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methanol is OCc1ccc2nc(-c3c(F)ccc4[nH]ccc34)nc(N3CCOCC3)c2n1.
What is the InChIKey of [2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methanol?
The InChIKey is GILXWCHQBOQUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2/c21-14-2-4-15-13(5-6-22-15)17(14)19-24-16-3-1-12(11-27)23-18(16)20(25-19)26-7-9-28-10-8-26/h1-6,22,27H,7-11H2.
What are the key properties of [2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methanol?
[2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methanol has a molecular weight of 379.40 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methanol is sourced from PubChem (CID 53378054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).