2-[1,3-dihydroxypropan-2-yl(methyl)amino]-4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one

C24H22F2N4O3 — CID 67134885

IUPAC2-[1,3-dihydroxypropan-2-yl(methyl)amino]-4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(F)ccc1-c1nc(N(C)C(CO)CO)nc2c1ccc(=O)n2-c1ccccc1F
InChIInChI=1S/C24H22F2N4O3/c1-14-11-15(25)7-8-17(14)22-18-9-10-21(33)30(20-6-4-3-5-19(20)26)23(18)28-24(27-22)29(2)16(12-31)13-32/h3-11,16,31-32H,12-13H2,1-2H3
InChIKeyCDLAYKLINWMIBG-UHFFFAOYSA-N
MW452.46 g/mol
LogP2.82
Rot. Bonds6

About 2-[1,3-dihydroxypropan-2-yl(methyl)amino]-4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one

2-[1,3-dihydroxypropan-2-yl(methyl)amino]-4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 67134885) has the molecular formula C24H22F2N4O3 and a molecular weight of 452.46 g/mol. Its IUPAC name is 2-[1,3-dihydroxypropan-2-yl(methyl)amino]-4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[1,3-dihydroxypropan-2-yl(methyl)amino]-4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID67134885
Molecular FormulaC24H22F2N4O3
Molecular Weight452.46 g/mol
Exact Mass452.17
IUPAC Name2-[1,3-dihydroxypropan-2-yl(methyl)amino]-4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(F)ccc1-c1nc(N(C)C(CO)CO)nc2c1ccc(=O)n2-c1ccccc1F
InChIInChI=1S/C24H22F2N4O3/c1-14-11-15(25)7-8-17(14)22-18-9-10-21(33)30(20-6-4-3-5-19(20)26)23(18)28-24(27-22)29(2)16(12-31)13-32/h3-11,16,31-32H,12-13H2,1-2H3
InChIKeyCDLAYKLINWMIBG-UHFFFAOYSA-N
XLogP2.82
TPSA91.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Dilmapimod
CID 10297982
CID 11853799
CID 11853799
4-(5-amino-2-methylphenyl)-8-(2,6-difluorophenyl)-2-[(2,2,6,6-tetramethyl-4-piperidinyl)amino]pyrido[2,3-d]pyrimidin-7(8H)-one
CID 44529219
8-(2,6-Difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[[2-hydroxy-3-(2-phenylethylamino)propyl]amino]pyrido[2,3-d]pyrimidin-7-one;2,2,2-trifluoroacetic acid
CID 44536680
8-(2,6-Difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[3-(2-phenylethylamino)propylamino]pyrido[2,3-d]pyrimidin-7-one;2,2,2-trifluoroacetic acid
CID 44536711
8-(2,6-Difluoro-phenyl)-4-(4-fluoro-2-methyl-phenyl)-2-(3-(2-oxo-pyrrolidin-1-yl)-propylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 44536120
Dilmapimod Tosylate
CID 16070082
1-[2-[[8-(2,6-Difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]-methylamino]ethyl]-1,3-dimethyl-3-phenylurea;2,2,2-trifluoroacetic acid
CID 44536585
4-(2,4-Difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-8-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyrimidin-7-one
CID 9869676
8-(2,4-difluorophenyl)-4-(2-fluorophenyl)-2-[[(2S)-1-hydroxypropan-2-yl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 10048092
2-(1,3-Dihydroxypropan-2-ylamino)-4-(2-fluorophenyl)-8-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyrimidin-7-one
CID 10049886
2-(1,3-Dihydroxypropan-2-ylamino)-4-(4-fluorophenyl)-8-(2,4,6-trifluorophenyl)pyrido[2,3-d]pyrimidin-7-one
CID 10049887

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-dihydroxypropan-2-yl(methyl)amino]-4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[1,3-dihydroxypropan-2-yl(methyl)amino]-4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one (CID 67134885) is 2-[1,3-dihydroxypropan-2-yl(methyl)amino]-4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[1,3-dihydroxypropan-2-yl(methyl)amino]-4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[1,3-dihydroxypropan-2-yl(methyl)amino]-4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one is Cc1cc(F)ccc1-c1nc(N(C)C(CO)CO)nc2c1ccc(=O)n2-c1ccccc1F.
What is the InChIKey of 2-[1,3-dihydroxypropan-2-yl(methyl)amino]-4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is CDLAYKLINWMIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O3/c1-14-11-15(25)7-8-17(14)22-18-9-10-21(33)30(20-6-4-3-5-19(20)26)23(18)28-24(27-22)29(2)16(12-31)13-32/h3-11,16,31-32H,12-13H2,1-2H3.
What are the key properties of 2-[1,3-dihydroxypropan-2-yl(methyl)amino]-4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one?
2-[1,3-dihydroxypropan-2-yl(methyl)amino]-4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 452.46 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-dihydroxypropan-2-yl(methyl)amino]-4-(4-fluoro-2-methylphenyl)-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 67134885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).