6-(2-fluorophenoxy)-8-methyl-2-(3-pyrrolidin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one

C21H24FN5O2 — CID 20626946

IUPAC6-(2-fluorophenoxy)-8-methyl-2-(3-pyrrolidin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(Oc2ccccc2F)cc2cnc(NCCCN3CCCC3)nc21
InChIInChI=1S/C21H24FN5O2/c1-26-19-15(13-18(20(26)28)29-17-8-3-2-7-16(17)22)14-24-21(25-19)23-9-6-12-27-10-4-5-11-27/h2-3,7-8,13-14H,4-6,9-12H2,1H3,(H,23,24,25)
InChIKeyBRPGWCIGFBCSQX-UHFFFAOYSA-N
MW397.45 g/mol
LogP3.16
Rot. Bonds7

About 6-(2-fluorophenoxy)-8-methyl-2-(3-pyrrolidin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one

6-(2-fluorophenoxy)-8-methyl-2-(3-pyrrolidin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 20626946) has the molecular formula C21H24FN5O2 and a molecular weight of 397.45 g/mol. Its IUPAC name is 6-(2-fluorophenoxy)-8-methyl-2-(3-pyrrolidin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2-fluorophenoxy)-8-methyl-2-(3-pyrrolidin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID20626946
Molecular FormulaC21H24FN5O2
Molecular Weight397.45 g/mol
Exact Mass397.19
IUPAC Name6-(2-fluorophenoxy)-8-methyl-2-(3-pyrrolidin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(Oc2ccccc2F)cc2cnc(NCCCN3CCCC3)nc21
InChIInChI=1S/C21H24FN5O2/c1-26-19-15(13-18(20(26)28)29-17-8-3-2-7-16(17)22)14-24-21(25-19)23-9-6-12-27-10-4-5-11-27/h2-3,7-8,13-14H,4-6,9-12H2,1H3,(H,23,24,25)
InChIKeyBRPGWCIGFBCSQX-UHFFFAOYSA-N
XLogP3.16
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(2-fluorophenoxy)-8-methyl-2-(2-pyrrolidin-1-ylethylamino)pyrido[2,3-d]pyrimidin-7-one
CID 20626942
2-(ethylamino)-6-(2-fluorophenoxy)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 20626992
6-(2-fluorophenoxy)-8-methyl-2-(pyridin-2-ylmethylamino)pyrido[2,3-d]pyrimidin-7-one
CID 23434556
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-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-(2,4-difluorophenoxy)-8-methyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 127040992
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
8-phenyl-2-(3-piperidin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one
CID 69378325
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
6-(2-chlorophenoxy)-8-methyl-2-methylperoxysulfanylpyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenoxy)-8-methyl-2-(2-phenylethylamino)pyrido[2,3-d]pyrimidin-7-one
CID 159285545

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenoxy)-8-methyl-2-(3-pyrrolidin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2-fluorophenoxy)-8-methyl-2-(3-pyrrolidin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one (CID 20626946) is 6-(2-fluorophenoxy)-8-methyl-2-(3-pyrrolidin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2-fluorophenoxy)-8-methyl-2-(3-pyrrolidin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2-fluorophenoxy)-8-methyl-2-(3-pyrrolidin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(Oc2ccccc2F)cc2cnc(NCCCN3CCCC3)nc21.
What is the InChIKey of 6-(2-fluorophenoxy)-8-methyl-2-(3-pyrrolidin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is BRPGWCIGFBCSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O2/c1-26-19-15(13-18(20(26)28)29-17-8-3-2-7-16(17)22)14-24-21(25-19)23-9-6-12-27-10-4-5-11-27/h2-3,7-8,13-14H,4-6,9-12H2,1H3,(H,23,24,25).
What are the key properties of 6-(2-fluorophenoxy)-8-methyl-2-(3-pyrrolidin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one?
6-(2-fluorophenoxy)-8-methyl-2-(3-pyrrolidin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 397.45 g/mol, XLogP of 3.16, 7 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-(3-pyrrolidin-1-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 20626946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).