6-(2-chlorophenyl)-8-(3,4-dihydro-2H-chromen-3-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one

C131H118Cl4F4N26O7 — CID 158207917

About 6-(2-chlorophenyl)-8-(3,4-dihydro-2H-chromen-3-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one

6-(2-chlorophenyl)-8-(3,4-dihydro-2H-chromen-3-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158207917) has the molecular formula C131H118Cl4F4N26O7 and a molecular weight of 2386.36 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-8-(3,4-dihydro-2H-chromen-3-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-(2-chlorophenyl)-8-(3,4-dihydro-2H-chromen-3-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 158207917
• Molecular Formula: C131H118Cl4F4N26O7
• Molecular Weight: 2386.36 g/mol
• Exact Mass: 2382.84
• IUPAC Name: 6-(2-chlorophenyl)-8-(3,4-dihydro-2H-chromen-3-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one
• SMILES: CC1(C)Oc2ccccc2C(=O)C1n1c(=O)c(-c2ccccc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc21.CN1CC(n2c(=O)c(-c3ccccc3Cl)cc3cnc(Nc4ccc(N5CCNCC5)c(F)c4)nc32)Cc2ccccc21.O=c1c(-c2ccccc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n1C1CNc2ccccc2C1.O=c1c(-c2ccccc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n1C1COc2ccccc2C1
• InChI: InChI=1S/C34H30ClFN6O3.C33H31ClFN7O.C32H29ClFN7O.C32H28ClFN6O2/c1-34(2)30(29(43)23-8-4-6-10-28(23)45-34)42-31-20(17-24(32(42)44)22-7-3-5-9-25(22)35)19-38-33(40-31)39-21-11-12-27(26(36)18-21)41-15-13-37-14-16-41;1-40-20-24(16-21-6-2-5-9-29(21)40)42-31-22(17-26(32(42)43)25-7-3-4-8-27(25)34)19-37-33(39-31)38-23-10-11-30(28(35)18-23)41-14-12-36-13-15-41;33-26-7-3-2-6-24(26)25-16-21-18-37-32(38-22-9-10-29(27(34)17-22)40-13-11-35-12-14-40)39-30(21)41(31(25)42)23-15-20-5-1-4-8-28(20)36-19-23;33-26-7-3-2-6-24(26)25-16-21-18-36-32(37-22-9-10-28(27(34)17-22)39-13-11-35-12-14-39)38-30(21)40(31(25)41)23-15-20-5-1-4-8-29(20)42-19-23/h3-12,17-19,30,37H,13-16H2,1-2H3,(H,38,39,40);2-11,17-19,24,36H,12-16,20H2,1H3,(H,37,38,39);1-10,16-18,23,35-36H,11-15,19H2,(H,37,38,39);1-10,16-18,23,35H,11-15,19H2,(H,36,37,38)
• InChIKey: GBSIYJKATMCLPR-UHFFFAOYSA-N
• XLogP: 22.83
• TPSA: 351.12 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 33
• Rotatable Bonds: 20
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2386.36
LogP ≤ 5	22.83
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-8-(3,4-dihydro-2H-chromen-3-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-(2-chlorophenyl)-8-(3,4-dihydro-2H-chromen-3-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one (CID 158207917) is 6-(2-chlorophenyl)-8-(3,4-dihydro-2H-chromen-3-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-(2-chlorophenyl)-8-(3,4-dihydro-2H-chromen-3-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-(2-chlorophenyl)-8-(3,4-dihydro-2H-chromen-3-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one is CC1(C)Oc2ccccc2C(=O)C1n1c(=O)c(-c2ccccc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc21.CN1CC(n2c(=O)c(-c3ccccc3Cl)cc3cnc(Nc4ccc(N5CCNCC5)c(F)c4)nc32)Cc2ccccc21.O=c1c(-c2ccccc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n1C1CNc2ccccc2C1.O=c1c(-c2ccccc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n1C1COc2ccccc2C1.

What is the InChIKey of 6-(2-chlorophenyl)-8-(3,4-dihydro-2H-chromen-3-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is GBSIYJKATMCLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30ClFN6O3.C33H31ClFN7O.C32H29ClFN7O.C32H28ClFN6O2/c1-34(2)30(29(43)23-8-4-6-10-28(23)45-34)42-31-20(17-24(32(42)44)22-7-3-5-9-25(22)35)19-38-33(40-31)39-21-11-12-27(26(36)18-21)41-15-13-37-14-16-41;1-40-20-24(16-21-6-2-5-9-29(21)40)42-31-22(17-26(32(42)43)25-7-3-4-8-27(25)34)19-37-33(39-31)38-23-10-11-30(28(35)18-23)41-14-12-36-13-15-41;33-26-7-3-2-6-24(26)25-16-21-18-37-32(38-22-9-10-29(27(34)17-22)40-13-11-35-12-14-40)39-30(21)41(31(25)42)23-15-20-5-1-4-8-28(20)36-19-23;33-26-7-3-2-6-24(26)25-16-21-18-36-32(37-22-9-10-28(27(34)17-22)39-13-11-35-12-14-39)38-30(21)40(31(25)41)23-15-20-5-1-4-8-29(20)42-19-23/h3-12,17-19,30,37H,13-16H2,1-2H3,(H,38,39,40);2-11,17-19,24,36H,12-16,20H2,1H3,(H,37,38,39);1-10,16-18,23,35-36H,11-15,19H2,(H,37,38,39);1-10,16-18,23,35H,11-15,19H2,(H,36,37,38).

What are the key properties of 6-(2-chlorophenyl)-8-(3,4-dihydro-2H-chromen-3-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one?

6-(2-chlorophenyl)-8-(3,4-dihydro-2H-chromen-3-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2386.36 g/mol, XLogP of 22.83, 20 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-chlorophenyl)-8-(3,4-dihydro-2H-chromen-3-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-8-(2,2-dimethyl-4-oxo-3H-chromen-3-yl)-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one;6-(2-chlorophenyl)-2-(3-fluoro-4-piperazin-1-ylanilino)-8-(1,2,3,4-tetrahydroquinolin-3-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158207917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).