6-(2-fluorophenoxy)-8-methyl-2-[(2-morpholin-4-yl-2-pyridin-4-ylethyl)amino]pyrido[2,3-d]pyrimidin-7-one

C25H25FN6O3 — CID 20626940

IUPAC6-(2-fluorophenoxy)-8-methyl-2-[(2-morpholin-4-yl-2-pyridin-4-ylethyl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(Oc2ccccc2F)cc2cnc(NCC(c3ccncc3)N3CCOCC3)nc21
InChIInChI=1S/C25H25FN6O3/c1-31-23-18(14-22(24(31)33)35-21-5-3-2-4-19(21)26)15-28-25(30-23)29-16-20(17-6-8-27-9-7-17)32-10-12-34-13-11-32/h2-9,14-15,20H,10-13,16H2,1H3,(H,28,29,30)
InChIKeyWNZRWNRJMQXOAY-UHFFFAOYSA-N
MW476.51 g/mol
LogP3.14
Rot. Bonds7

About 6-(2-fluorophenoxy)-8-methyl-2-[(2-morpholin-4-yl-2-pyridin-4-ylethyl)amino]pyrido[2,3-d]pyrimidin-7-one

6-(2-fluorophenoxy)-8-methyl-2-[(2-morpholin-4-yl-2-pyridin-4-ylethyl)amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 20626940) has the molecular formula C25H25FN6O3 and a molecular weight of 476.51 g/mol. Its IUPAC name is 6-(2-fluorophenoxy)-8-methyl-2-[(2-morpholin-4-yl-2-pyridin-4-ylethyl)amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2-fluorophenoxy)-8-methyl-2-[(2-morpholin-4-yl-2-pyridin-4-ylethyl)amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID20626940
Molecular FormulaC25H25FN6O3
Molecular Weight476.51 g/mol
Exact Mass476.20
IUPAC Name6-(2-fluorophenoxy)-8-methyl-2-[(2-morpholin-4-yl-2-pyridin-4-ylethyl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(Oc2ccccc2F)cc2cnc(NCC(c3ccncc3)N3CCOCC3)nc21
InChIInChI=1S/C25H25FN6O3/c1-31-23-18(14-22(24(31)33)35-21-5-3-2-4-19(21)26)15-28-25(30-23)29-16-20(17-6-8-27-9-7-17)32-10-12-34-13-11-32/h2-9,14-15,20H,10-13,16H2,1H3,(H,28,29,30)
InChIKeyWNZRWNRJMQXOAY-UHFFFAOYSA-N
XLogP3.14
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.51
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-(2-fluorophenoxy)-8-methyl-2-[(2-morpholin-4-yl-2-pyridin-4-ylethyl)amino]pyrido[2,3-d]pyrimidin-7-one with MolForge

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Launch Full Analysis

Related Compounds

2-(ethylamino)-6-(2-fluorophenoxy)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 20626992
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-(pyridin-2-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one
CID 23434556
6-(2-fluorophenoxy)-8-methyl-2-(3-pyrrolidin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one
CID 20626946
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-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
5-ethyl-N-(2-morpholin-4-yl-2-pyridin-4-ylethyl)pyrimidin-2-amine
CID 72870325
N-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-4-pyridin-2-ylpyrimidin-2-amine
CID 97444515
6-(4-fluorophenoxy)-8-methyl-2-(2-phenylethylamino)pyrido[2,3-d]pyrimidin-7-one
CID 20626976
8-methyl-2-(oxan-4-ylamino)-6-phenoxypyrido[2,3-d]pyrimidin-7-one
CID 23434577
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
6-(3-fluorophenoxy)-8-methyl-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 23434573

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenoxy)-8-methyl-2-[(2-morpholin-4-yl-2-pyridin-4-ylethyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2-fluorophenoxy)-8-methyl-2-[(2-morpholin-4-yl-2-pyridin-4-ylethyl)amino]pyrido[2,3-d]pyrimidin-7-one (CID 20626940) is 6-(2-fluorophenoxy)-8-methyl-2-[(2-morpholin-4-yl-2-pyridin-4-ylethyl)amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2-fluorophenoxy)-8-methyl-2-[(2-morpholin-4-yl-2-pyridin-4-ylethyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2-fluorophenoxy)-8-methyl-2-[(2-morpholin-4-yl-2-pyridin-4-ylethyl)amino]pyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(Oc2ccccc2F)cc2cnc(NCC(c3ccncc3)N3CCOCC3)nc21.
What is the InChIKey of 6-(2-fluorophenoxy)-8-methyl-2-[(2-morpholin-4-yl-2-pyridin-4-ylethyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is WNZRWNRJMQXOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O3/c1-31-23-18(14-22(24(31)33)35-21-5-3-2-4-19(21)26)15-28-25(30-23)29-16-20(17-6-8-27-9-7-17)32-10-12-34-13-11-32/h2-9,14-15,20H,10-13,16H2,1H3,(H,28,29,30).
What are the key properties of 6-(2-fluorophenoxy)-8-methyl-2-[(2-morpholin-4-yl-2-pyridin-4-ylethyl)amino]pyrido[2,3-d]pyrimidin-7-one?
6-(2-fluorophenoxy)-8-methyl-2-[(2-morpholin-4-yl-2-pyridin-4-ylethyl)amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 476.51 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenoxy)-8-methyl-2-[(2-morpholin-4-yl-2-pyridin-4-ylethyl)amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 20626940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).