6-(2,4-difluorophenoxy)-2-[4-(hydroxymethyl)piperidin-1-yl]-8-methylpyrido[2,3-d]pyrimidin-7-one

C20H20F2N4O3 — CID 127041568

IUPAC6-(2,4-difluorophenoxy)-2-[4-(hydroxymethyl)piperidin-1-yl]-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(N3CCC(CO)CC3)nc21
InChIInChI=1S/C20H20F2N4O3/c1-25-18-13(10-23-20(24-18)26-6-4-12(11-27)5-7-26)8-17(19(25)28)29-16-3-2-14(21)9-15(16)22/h2-3,8-10,12,27H,4-7,11H2,1H3
InChIKeySPHNPASRNFUBOV-UHFFFAOYSA-N
MW402.40 g/mol
LogP2.61
Rot. Bonds4

About 6-(2,4-difluorophenoxy)-2-[4-(hydroxymethyl)piperidin-1-yl]-8-methylpyrido[2,3-d]pyrimidin-7-one

6-(2,4-difluorophenoxy)-2-[4-(hydroxymethyl)piperidin-1-yl]-8-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 127041568) has the molecular formula C20H20F2N4O3 and a molecular weight of 402.40 g/mol. Its IUPAC name is 6-(2,4-difluorophenoxy)-2-[4-(hydroxymethyl)piperidin-1-yl]-8-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,4-difluorophenoxy)-2-[4-(hydroxymethyl)piperidin-1-yl]-8-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID127041568
Molecular FormulaC20H20F2N4O3
Molecular Weight402.40 g/mol
Exact Mass402.15
IUPAC Name6-(2,4-difluorophenoxy)-2-[4-(hydroxymethyl)piperidin-1-yl]-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(N3CCC(CO)CC3)nc21
InChIInChI=1S/C20H20F2N4O3/c1-25-18-13(10-23-20(24-18)26-6-4-12(11-27)5-7-26)8-17(19(25)28)29-16-3-2-14(21)9-15(16)22/h2-3,8-10,12,27H,4-7,11H2,1H3
InChIKeySPHNPASRNFUBOV-UHFFFAOYSA-N
XLogP2.61
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(2,4-difluorophenoxy)-2-[4-(hydroxymethyl)piperidin-1-yl]-8-methylpyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

6-(2,4-difluorophenoxy)-8-methyl-2-methylperoxysulfanylpyrido[2,3-d]pyrimidin-7-one
CID 20626911
6-(2,4-difluorophenoxy)-8-methyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 127040992
6-(2,4-difluorophenoxy)-8-methyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-7-one
CID 71053344
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
3-(2,4-difluorophenoxy)-7-[(4-hydroxycyclohexyl)amino]-1-methyl-1,6-naphthyridin-2-one
CID 20626844
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-(2,4-difluorophenoxy)-8-[(2S)-2-hydroxypropyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 59681427
2-[[1-(benzenesulfonyl)piperidin-4-yl]amino]-6-(4-fluoro-2-methylphenoxy)-8-methylpyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 162324159
6-(2-fluorophenoxy)-8-methyl-2-(3-pyrrolidin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one
CID 20626946
6-(2,4-difluorophenoxy)-8-[(2S)-2,3-dihydroxypropyl]-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 52937241
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

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenoxy)-2-[4-(hydroxymethyl)piperidin-1-yl]-8-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,4-difluorophenoxy)-2-[4-(hydroxymethyl)piperidin-1-yl]-8-methylpyrido[2,3-d]pyrimidin-7-one (CID 127041568) is 6-(2,4-difluorophenoxy)-2-[4-(hydroxymethyl)piperidin-1-yl]-8-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,4-difluorophenoxy)-2-[4-(hydroxymethyl)piperidin-1-yl]-8-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,4-difluorophenoxy)-2-[4-(hydroxymethyl)piperidin-1-yl]-8-methylpyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(N3CCC(CO)CC3)nc21.
What is the InChIKey of 6-(2,4-difluorophenoxy)-2-[4-(hydroxymethyl)piperidin-1-yl]-8-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is SPHNPASRNFUBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O3/c1-25-18-13(10-23-20(24-18)26-6-4-12(11-27)5-7-26)8-17(19(25)28)29-16-3-2-14(21)9-15(16)22/h2-3,8-10,12,27H,4-7,11H2,1H3.
What are the key properties of 6-(2,4-difluorophenoxy)-2-[4-(hydroxymethyl)piperidin-1-yl]-8-methylpyrido[2,3-d]pyrimidin-7-one?
6-(2,4-difluorophenoxy)-2-[4-(hydroxymethyl)piperidin-1-yl]-8-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 402.40 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenoxy)-2-[4-(hydroxymethyl)piperidin-1-yl]-8-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 127041568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).