6-(2-fluorophenoxy)-8-methyl-2-(pyridin-2-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one

C20H16FN5O2 — CID 23434556

IUPAC6-(2-fluorophenoxy)-8-methyl-2-(pyridin-2-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(Oc2ccccc2F)cc2cnc(NCc3ccccn3)nc21
InChIInChI=1S/C20H16FN5O2/c1-26-18-13(10-17(19(26)27)28-16-8-3-2-7-15(16)21)11-23-20(25-18)24-12-14-6-4-5-9-22-14/h2-11H,12H2,1H3,(H,23,24,25)
InChIKeyKNYJPLQITHPQEV-UHFFFAOYSA-N
MW377.38 g/mol
LogP3.27
Rot. Bonds5

About 6-(2-fluorophenoxy)-8-methyl-2-(pyridin-2-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one

6-(2-fluorophenoxy)-8-methyl-2-(pyridin-2-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 23434556) has the molecular formula C20H16FN5O2 and a molecular weight of 377.38 g/mol. Its IUPAC name is 6-(2-fluorophenoxy)-8-methyl-2-(pyridin-2-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2-fluorophenoxy)-8-methyl-2-(pyridin-2-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID23434556
Molecular FormulaC20H16FN5O2
Molecular Weight377.38 g/mol
Exact Mass377.13
IUPAC Name6-(2-fluorophenoxy)-8-methyl-2-(pyridin-2-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(Oc2ccccc2F)cc2cnc(NCc3ccccn3)nc21
InChIInChI=1S/C20H16FN5O2/c1-26-18-13(10-17(19(26)27)28-16-8-3-2-7-15(16)21)11-23-20(25-18)24-12-14-6-4-5-9-22-14/h2-11H,12H2,1H3,(H,23,24,25)
InChIKeyKNYJPLQITHPQEV-UHFFFAOYSA-N
XLogP3.27
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(ethylamino)-6-(2-fluorophenoxy)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 20626992
6-(2-fluorophenoxy)-2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 20626840
6-(2-fluorophenoxy)-8-methyl-2-(2-pyrrolidin-1-ylethylamino)pyrido[2,3-d]pyrimidin-7-one
CID 20626942
6-(2-fluorophenoxy)-8-methyl-2-[(2-morpholin-4-yl-2-pyridin-4-ylethyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 20626940
6-(4-fluorophenoxy)-8-methyl-2-(2-phenylethylamino)pyrido[2,3-d]pyrimidin-7-one
CID 20626976
6-(2-fluorophenoxy)-8-methyl-2-methylperoxysulfanylpyrido[2,3-d]pyrimidin-7-one;6-(2-fluorophenoxy)-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 159882081
2-[[1-(benzenesulfonyl)piperidin-4-yl]amino]-6-(2-fluorophenoxy)-8-methylpyrido[2,3-d]pyrimidin-7-one;6-(2-fluorophenoxy)-8-methyl-2-(piperidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 159388598
2-[[1-(benzenesulfonyl)piperidin-4-yl]amino]-6-(2-fluorophenoxy)-8-methylpyrido[2,3-d]pyrimidin-7-one;ethane;6-(2-fluorophenoxy)-8-methyl-2-(piperidin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 142161276
acetylene;6-(4-chlorophenoxy)-2-[(2-hydroxy-2-methylpropyl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one;ethane
CID 142161237
2-(benzylamino)-6-[(4-fluorophenyl)methyl]-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 23434569
6-(2,4-difluorophenoxy)-8-methyl-2-[[(2R)-1-(tetrazol-2-yl)propan-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 44517632
6-(2,4-difluorophenoxy)-8-methyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 127040992

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenoxy)-8-methyl-2-(pyridin-2-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2-fluorophenoxy)-8-methyl-2-(pyridin-2-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one (CID 23434556) is 6-(2-fluorophenoxy)-8-methyl-2-(pyridin-2-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2-fluorophenoxy)-8-methyl-2-(pyridin-2-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2-fluorophenoxy)-8-methyl-2-(pyridin-2-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(Oc2ccccc2F)cc2cnc(NCc3ccccn3)nc21.
What is the InChIKey of 6-(2-fluorophenoxy)-8-methyl-2-(pyridin-2-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is KNYJPLQITHPQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2/c1-26-18-13(10-17(19(26)27)28-16-8-3-2-7-15(16)21)11-23-20(25-18)24-12-14-6-4-5-9-22-14/h2-11H,12H2,1H3,(H,23,24,25).
What are the key properties of 6-(2-fluorophenoxy)-8-methyl-2-(pyridin-2-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one?
6-(2-fluorophenoxy)-8-methyl-2-(pyridin-2-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 377.38 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenoxy)-8-methyl-2-(pyridin-2-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 23434556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).