6-[4-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-[2-(dimethylamino)ethylsulfonyl]-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(4-methyl-2-propan-2-ylsulfinylphenyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-cyclopropylsulfonyl-3,5-dimethyl-2H-pyrrol-4-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen

C131H148ClF6N25O11S4 — CID 157341464

About 6-[4-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-[2-(dimethylamino)ethylsulfonyl]-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(4-methyl-2-propan-2-ylsulfinylphenyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-cyclopropylsulfonyl-3,5-dimethyl-2H-pyrrol-4-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen

6-[4-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-[2-(dimethylamino)ethylsulfonyl]-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(4-methyl-2-propan-2-ylsulfinylphenyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-cyclopropylsulfonyl-3,5-dimethyl-2H-pyrrol-4-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen (PubChem CID 157341464) has the molecular formula C131H148ClF6N25O11S4 and a molecular weight of 2526.50 g/mol. Its IUPAC name is 6-[4-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-[2-(dimethylamino)ethylsulfonyl]-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(4-methyl-2-propan-2-ylsulfinylphenyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-cyclopropylsulfonyl-3,5-dimethyl-2H-pyrrol-4-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen.

Molecular Properties

• Compound Name: 6-[4-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-[2-(dimethylamino)ethylsulfonyl]-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(4-methyl-2-propan-2-ylsulfinylphenyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-cyclopropylsulfonyl-3,5-dimethyl-2H-pyrrol-4-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen
• PubChem CID: 157341464
• Molecular Formula: C131H148ClF6N25O11S4
• Molecular Weight: 2526.50 g/mol
• Exact Mass: 2524.03
• IUPAC Name: 6-[4-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-[2-(dimethylamino)ethylsulfonyl]-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(4-methyl-2-propan-2-ylsulfinylphenyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-cyclopropylsulfonyl-3,5-dimethyl-2H-pyrrol-4-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen
• SMILES: CC1=NC(S(=O)(=O)C2CC2)C(C)=C1c1cc2cnc(Nc3ccc(N4CCNCC4)c(C(F)(F)F)c3)nc2n(CC2CC2)c1=O.CN(C)CCn1c(=O)c(-c2ncc(S(=O)(=O)CCN(C)C)cc2Cl)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc21.CN1CCC(c2ccc(Nc3ncc4cc(-c5ccc(S(=O)(=O)c6ccccc6)cc5C(F)(F)F)c(=O)n(-c5ccccc5)c4n3)cc2)C1.Cc1ccc(-c2cc3cnc(Nc4ccc(C5CCNC5)cc4)nc3n(C3CCCC3)c2=O)c(S(=O)C(C)C)c1.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C37H30F3N5O3S.C32H37N5O2S.C31H39ClN8O3S.C31H34F3N7O3S.4H2/c1-44-19-18-25(23-44)24-12-14-27(15-13-24)42-36-41-22-26-20-32(35(46)45(34(26)43-36)28-8-4-2-5-9-28)31-17-16-30(21-33(31)37(38,39)40)49(47,48)29-10-6-3-7-11-29;1-20(2)40(39)29-16-21(3)8-13-27(29)28-17-24-19-34-32(36-30(24)37(31(28)38)26-6-4-5-7-26)35-25-11-9-22(10-12-25)23-14-15-33-18-23;1-38(2)13-14-40-29-23(19-35-31(37-29)36-24-7-5-21(6-8-24)22-9-11-33-12-10-22)17-26(30(40)41)28-27(32)18-25(20-34-28)44(42,43)16-15-39(3)4;1-17-26(18(2)37-28(17)45(43,44)22-6-7-22)23-13-20-15-36-30(39-27(20)41(29(23)42)16-19-3-4-19)38-21-5-8-25(24(14-21)31(32,33)34)40-11-9-35-10-12-40;;;;/h2-17,20-22,25H,18-19,23H2,1H3,(H,41,42,43);8-13,16-17,19-20,23,26,33H,4-7,14-15,18H2,1-3H3,(H,34,35,36);5-8,17-20,22,33H,9-16H2,1-4H3,(H,35,36,37);5,8,13-15,19,22,28,35H,3-4,6-7,9-12,16H2,1-2H3,(H,36,38,39);4*1H
• InChIKey: BGLGVLTYFKSUOX-UHFFFAOYSA-N
• XLogP: 22.80
• TPSA: 433.03 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 36
• Rotatable Bonds: 33
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2526.50
LogP ≤ 5	22.80
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	36

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-[4-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-[2-(dimethylamino)ethylsulfonyl]-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(4-methyl-2-propan-2-ylsulfinylphenyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-cyclopropylsulfonyl-3,5-dimethyl-2H-pyrrol-4-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen?

The IUPAC name of 6-[4-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-[2-(dimethylamino)ethylsulfonyl]-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(4-methyl-2-propan-2-ylsulfinylphenyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-cyclopropylsulfonyl-3,5-dimethyl-2H-pyrrol-4-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen (CID 157341464) is 6-[4-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-[2-(dimethylamino)ethylsulfonyl]-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(4-methyl-2-propan-2-ylsulfinylphenyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-cyclopropylsulfonyl-3,5-dimethyl-2H-pyrrol-4-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen.

What is the SMILES notation for 6-[4-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-[2-(dimethylamino)ethylsulfonyl]-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(4-methyl-2-propan-2-ylsulfinylphenyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-cyclopropylsulfonyl-3,5-dimethyl-2H-pyrrol-4-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen?

The canonical SMILES for 6-[4-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-[2-(dimethylamino)ethylsulfonyl]-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(4-methyl-2-propan-2-ylsulfinylphenyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-cyclopropylsulfonyl-3,5-dimethyl-2H-pyrrol-4-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen is CC1=NC(S(=O)(=O)C2CC2)C(C)=C1c1cc2cnc(Nc3ccc(N4CCNCC4)c(C(F)(F)F)c3)nc2n(CC2CC2)c1=O.CN(C)CCn1c(=O)c(-c2ncc(S(=O)(=O)CCN(C)C)cc2Cl)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc21.CN1CCC(c2ccc(Nc3ncc4cc(-c5ccc(S(=O)(=O)c6ccccc6)cc5C(F)(F)F)c(=O)n(-c5ccccc5)c4n3)cc2)C1.Cc1ccc(-c2cc3cnc(Nc4ccc(C5CCNC5)cc4)nc3n(C3CCCC3)c2=O)c(S(=O)C(C)C)c1.[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 6-[4-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-[2-(dimethylamino)ethylsulfonyl]-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(4-methyl-2-propan-2-ylsulfinylphenyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-cyclopropylsulfonyl-3,5-dimethyl-2H-pyrrol-4-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen?

The InChIKey is BGLGVLTYFKSUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30F3N5O3S.C32H37N5O2S.C31H39ClN8O3S.C31H34F3N7O3S.4H2/c1-44-19-18-25(23-44)24-12-14-27(15-13-24)42-36-41-22-26-20-32(35(46)45(34(26)43-36)28-8-4-2-5-9-28)31-17-16-30(21-33(31)37(38,39)40)49(47,48)29-10-6-3-7-11-29;1-20(2)40(39)29-16-21(3)8-13-27(29)28-17-24-19-34-32(36-30(24)37(31(28)38)26-6-4-5-7-26)35-25-11-9-22(10-12-25)23-14-15-33-18-23;1-38(2)13-14-40-29-23(19-35-31(37-29)36-24-7-5-21(6-8-24)22-9-11-33-12-10-22)17-26(30(40)41)28-27(32)18-25(20-34-28)44(42,43)16-15-39(3)4;1-17-26(18(2)37-28(17)45(43,44)22-6-7-22)23-13-20-15-36-30(39-27(20)41(29(23)42)16-19-3-4-19)38-21-5-8-25(24(14-21)31(32,33)34)40-11-9-35-10-12-40;;;;/h2-17,20-22,25H,18-19,23H2,1H3,(H,41,42,43);8-13,16-17,19-20,23,26,33H,4-7,14-15,18H2,1-3H3,(H,34,35,36);5-8,17-20,22,33H,9-16H2,1-4H3,(H,35,36,37);5,8,13-15,19,22,28,35H,3-4,6-7,9-12,16H2,1-2H3,(H,36,38,39);4*1H.

What are the key properties of 6-[4-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-[2-(dimethylamino)ethylsulfonyl]-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(4-methyl-2-propan-2-ylsulfinylphenyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-cyclopropylsulfonyl-3,5-dimethyl-2H-pyrrol-4-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen?

6-[4-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-[2-(dimethylamino)ethylsulfonyl]-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(4-methyl-2-propan-2-ylsulfinylphenyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-cyclopropylsulfonyl-3,5-dimethyl-2H-pyrrol-4-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen has a molecular weight of 2526.50 g/mol, XLogP of 22.80, 33 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(benzenesulfonyl)-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-[2-(dimethylamino)ethylsulfonyl]-2-pyridinyl]-8-[2-(dimethylamino)ethyl]-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-(4-methyl-2-propan-2-ylsulfinylphenyl)-2-(4-pyrrolidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-(2-cyclopropylsulfonyl-3,5-dimethyl-2H-pyrrol-4-yl)-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen is sourced from PubChem (CID 157341464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).