4-(3-chlorophenyl)-8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;4-(4-chlorophenyl)-8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(2-fluoro-4-phenylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one

C95H75Cl2F9N16O12 — CID 173138019

IUPAC4-(3-chlorophenyl)-8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;4-(4-chlorophenyl)-8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(2-fluoro-4-phenylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1ccccc1-c1nc(NC(CO)CO)nc2c1ccc(=O)n2-c1ccc(F)cc1F.O=c1ccc2c(-c3ccc(-c4ccccc4)cc3F)nc(NC(CO)CO)nc2n1-c1ccc(F)cc1F.O=c1ccc2c(-c3ccc(Cl)cc3)nc(NC(CO)CO)nc2n1-c1ccc(F)cc1F.O=c1ccc2c(-c3cccc(Cl)c3)nc(NC(CO)CO)nc2n1-c1ccc(F)cc1F
InChIInChI=1S/C28H21F3N4O3.C23H20F2N4O3.2C22H17ClF2N4O3/c29-18-7-10-24(23(31)13-18)35-25(38)11-9-21-26(33-28(34-27(21)35)32-19(14-36)15-37)20-8-6-17(12-22(20)30)16-4-2-1-3-5-16;1-13-4-2-3-5-16(13)21-17-7-9-20(32)29(19-8-6-14(24)10-18(19)25)22(17)28-23(27-21)26-15(11-30)12-31;23-13-3-1-12(2-4-13)20-16-6-8-19(32)29(18-7-5-14(24)9-17(18)25)21(16)28-22(27-20)26-15(10-30)11-31;23-13-3-1-2-12(8-13)20-16-5-7-19(32)29(18-6-4-14(24)9-17(18)25)21(16)28-22(27-20)26-15(10-30)11-31/h1-13,19,36-37H,14-15H2,(H,32,33,34);2-10,15,30-31H,11-12H2,1H3,(H,26,27,28);2*1-9,15,30-31H,10-11H2,(H,26,27,28)
InChIKeyAWPWVVIJEBUBBO-UHFFFAOYSA-N
MW1874.63 g/mol
LogP13.39
Rot. Bonds25

About 4-(3-chlorophenyl)-8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;4-(4-chlorophenyl)-8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(2-fluoro-4-phenylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one

4-(3-chlorophenyl)-8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;4-(4-chlorophenyl)-8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(2-fluoro-4-phenylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 173138019) has the molecular formula C95H75Cl2F9N16O12 and a molecular weight of 1874.63 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;4-(4-chlorophenyl)-8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(2-fluoro-4-phenylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-(3-chlorophenyl)-8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;4-(4-chlorophenyl)-8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(2-fluoro-4-phenylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID173138019
Molecular FormulaC95H75Cl2F9N16O12
Molecular Weight1874.63 g/mol
Exact Mass1872.50
IUPAC Name4-(3-chlorophenyl)-8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;4-(4-chlorophenyl)-8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(2-fluoro-4-phenylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1ccccc1-c1nc(NC(CO)CO)nc2c1ccc(=O)n2-c1ccc(F)cc1F.O=c1ccc2c(-c3ccc(-c4ccccc4)cc3F)nc(NC(CO)CO)nc2n1-c1ccc(F)cc1F.O=c1ccc2c(-c3ccc(Cl)cc3)nc(NC(CO)CO)nc2n1-c1ccc(F)cc1F.O=c1ccc2c(-c3cccc(Cl)c3)nc(NC(CO)CO)nc2n1-c1ccc(F)cc1F
InChIInChI=1S/C28H21F3N4O3.C23H20F2N4O3.2C22H17ClF2N4O3/c29-18-7-10-24(23(31)13-18)35-25(38)11-9-21-26(33-28(34-27(21)35)32-19(14-36)15-37)20-8-6-17(12-22(20)30)16-4-2-1-3-5-16;1-13-4-2-3-5-16(13)21-17-7-9-20(32)29(19-8-6-14(24)10-18(19)25)22(17)28-23(27-21)26-15(11-30)12-31;23-13-3-1-12(2-4-13)20-16-6-8-19(32)29(18-7-5-14(24)9-17(18)25)21(16)28-22(27-20)26-15(10-30)11-31;23-13-3-1-2-12(8-13)20-16-5-7-19(32)29(18-6-4-14(24)9-17(18)25)21(16)28-22(27-20)26-15(10-30)11-31/h1-13,19,36-37H,14-15H2,(H,32,33,34);2-10,15,30-31H,11-12H2,1H3,(H,26,27,28);2*1-9,15,30-31H,10-11H2,(H,26,27,28)
InChIKeyAWPWVVIJEBUBBO-UHFFFAOYSA-N
XLogP13.39
TPSA401.08 Ų
H-Bond Donors12
H-Bond Acceptors28
Rotatable Bonds25
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001874.63
LogP ≤ 513.39
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1028

Analyze 4-(3-chlorophenyl)-8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;4-(4-chlorophenyl)-8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(2-fluoro-4-phenylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;4-(4-chlorophenyl)-8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(2-fluoro-4-phenylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-(3-chlorophenyl)-8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;4-(4-chlorophenyl)-8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(2-fluoro-4-phenylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one (CID 173138019) is 4-(3-chlorophenyl)-8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;4-(4-chlorophenyl)-8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(2-fluoro-4-phenylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-(3-chlorophenyl)-8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;4-(4-chlorophenyl)-8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(2-fluoro-4-phenylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-(3-chlorophenyl)-8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;4-(4-chlorophenyl)-8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(2-fluoro-4-phenylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one is Cc1ccccc1-c1nc(NC(CO)CO)nc2c1ccc(=O)n2-c1ccc(F)cc1F.O=c1ccc2c(-c3ccc(-c4ccccc4)cc3F)nc(NC(CO)CO)nc2n1-c1ccc(F)cc1F.O=c1ccc2c(-c3ccc(Cl)cc3)nc(NC(CO)CO)nc2n1-c1ccc(F)cc1F.O=c1ccc2c(-c3cccc(Cl)c3)nc(NC(CO)CO)nc2n1-c1ccc(F)cc1F.
What is the InChIKey of 4-(3-chlorophenyl)-8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;4-(4-chlorophenyl)-8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(2-fluoro-4-phenylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is AWPWVVIJEBUBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F3N4O3.C23H20F2N4O3.2C22H17ClF2N4O3/c29-18-7-10-24(23(31)13-18)35-25(38)11-9-21-26(33-28(34-27(21)35)32-19(14-36)15-37)20-8-6-17(12-22(20)30)16-4-2-1-3-5-16;1-13-4-2-3-5-16(13)21-17-7-9-20(32)29(19-8-6-14(24)10-18(19)25)22(17)28-23(27-21)26-15(11-30)12-31;23-13-3-1-12(2-4-13)20-16-6-8-19(32)29(18-7-5-14(24)9-17(18)25)21(16)28-22(27-20)26-15(10-30)11-31;23-13-3-1-2-12(8-13)20-16-5-7-19(32)29(18-6-4-14(24)9-17(18)25)21(16)28-22(27-20)26-15(10-30)11-31/h1-13,19,36-37H,14-15H2,(H,32,33,34);2-10,15,30-31H,11-12H2,1H3,(H,26,27,28);2*1-9,15,30-31H,10-11H2,(H,26,27,28).
What are the key properties of 4-(3-chlorophenyl)-8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;4-(4-chlorophenyl)-8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(2-fluoro-4-phenylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one?
4-(3-chlorophenyl)-8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;4-(4-chlorophenyl)-8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(2-fluoro-4-phenylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 1874.63 g/mol, XLogP of 13.39, 25 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;4-(4-chlorophenyl)-8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(2-fluoro-4-phenylphenyl)pyrido[2,3-d]pyrimidin-7-one;8-(2,4-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 173138019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).