6-(2-cyclopropylsulfonylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2,3-dihydro-1,3-thiazol-2-yl)-6-[1-(1-methylpiperidin-4-yl)sulfonylimidazol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen

C127H151N27O15S6 — CID 157234324

About 6-(2-cyclopropylsulfonylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2,3-dihydro-1,3-thiazol-2-yl)-6-[1-(1-methylpiperidin-4-yl)sulfonylimidazol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen

6-(2-cyclopropylsulfonylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2,3-dihydro-1,3-thiazol-2-yl)-6-[1-(1-methylpiperidin-4-yl)sulfonylimidazol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen (PubChem CID 157234324) has the molecular formula C127H151N27O15S6 and a molecular weight of 2488.18 g/mol. Its IUPAC name is 6-(2-cyclopropylsulfonylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2,3-dihydro-1,3-thiazol-2-yl)-6-[1-(1-methylpiperidin-4-yl)sulfonylimidazol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen.

Molecular Properties

• Compound Name: 6-(2-cyclopropylsulfonylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2,3-dihydro-1,3-thiazol-2-yl)-6-[1-(1-methylpiperidin-4-yl)sulfonylimidazol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen
• PubChem CID: 157234324
• Molecular Formula: C127H151N27O15S6
• Molecular Weight: 2488.18 g/mol
• Exact Mass: 2486.02
• IUPAC Name: 6-(2-cyclopropylsulfonylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2,3-dihydro-1,3-thiazol-2-yl)-6-[1-(1-methylpiperidin-4-yl)sulfonylimidazol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen
• SMILES: C=S(=O)(c1ccc(-c2cc3cnc(Nc4ccc(OC5CCNCC5)cc4)nc3n(CC(=O)N3CCCC3)c2=O)cc1)C(C)C.C=S(C)(=O)c1cccc(-c2cc3cnc(Nc4ccc(C5CN(C)CCO5)cc4)nc3n(Cc3nccs3)c2=O)c1.CN1CCC(S(=O)(=O)n2ccnc2-c2cc3cnc(Nc4ccc(NC5CCN(C)C5)cc4)nc3n(C3NC=CS3)c2=O)CC1.O=c1c(-c2ccccc2S(=O)(=O)C2CC2)cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n1CC1CCOCC1.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C34H40N6O4S.C33H37N5O5S.C30H36N10O3S2.C30H30N6O3S2.4H2/c1-23(2)45(3,43)29-12-6-24(7-13-29)30-20-25-21-36-34(37-26-8-10-27(11-9-26)44-28-14-16-35-17-15-28)38-32(25)40(33(30)42)22-31(41)39-18-4-5-19-39;39-32-29(28-5-1-2-6-30(28)44(40,41)27-11-12-27)18-23-19-35-33(37-31(23)38(32)21-22-13-16-42-17-14-22)36-24-7-9-25(10-8-24)43-26-4-3-15-34-20-26;1-37-13-8-24(9-14-37)45(42,43)39-15-10-31-27(39)25-17-20-18-33-29(36-26(20)40(28(25)41)30-32-11-16-44-30)35-22-5-3-21(4-6-22)34-23-7-12-38(2)19-23;1-35-12-13-39-26(18-35)20-7-9-23(10-8-20)33-30-32-17-22-16-25(21-5-4-6-24(15-21)41(2,3)38)29(37)36(28(22)34-30)19-27-31-11-14-40-27;;;;/h6-13,20-21,23,28,35H,3-5,14-19,22H2,1-2H3,(H,36,37,38);1-2,5-10,18-19,22,26-27,34H,3-4,11-17,20-21H2,(H,35,36,37);3-6,10-11,15-18,23-24,30,32,34H,7-9,12-14,19H2,1-2H3,(H,33,35,36);4-11,14-17,26H,2,12-13,18-19H2,1,3H3,(H,32,33,34);4*1H
• InChIKey: AULOMQOCYBIPFB-UHFFFAOYSA-N
• XLogP: 17.58
• TPSA: 487.44 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 43
• Rotatable Bonds: 33
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2488.18
LogP ≤ 5	17.58
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopropylsulfonylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2,3-dihydro-1,3-thiazol-2-yl)-6-[1-(1-methylpiperidin-4-yl)sulfonylimidazol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen?

The IUPAC name of 6-(2-cyclopropylsulfonylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2,3-dihydro-1,3-thiazol-2-yl)-6-[1-(1-methylpiperidin-4-yl)sulfonylimidazol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen (CID 157234324) is 6-(2-cyclopropylsulfonylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2,3-dihydro-1,3-thiazol-2-yl)-6-[1-(1-methylpiperidin-4-yl)sulfonylimidazol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen.

What is the SMILES notation for 6-(2-cyclopropylsulfonylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2,3-dihydro-1,3-thiazol-2-yl)-6-[1-(1-methylpiperidin-4-yl)sulfonylimidazol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen?

The canonical SMILES for 6-(2-cyclopropylsulfonylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2,3-dihydro-1,3-thiazol-2-yl)-6-[1-(1-methylpiperidin-4-yl)sulfonylimidazol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen is C=S(=O)(c1ccc(-c2cc3cnc(Nc4ccc(OC5CCNCC5)cc4)nc3n(CC(=O)N3CCCC3)c2=O)cc1)C(C)C.C=S(C)(=O)c1cccc(-c2cc3cnc(Nc4ccc(C5CN(C)CCO5)cc4)nc3n(Cc3nccs3)c2=O)c1.CN1CCC(S(=O)(=O)n2ccnc2-c2cc3cnc(Nc4ccc(NC5CCN(C)C5)cc4)nc3n(C3NC=CS3)c2=O)CC1.O=c1c(-c2ccccc2S(=O)(=O)C2CC2)cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n1CC1CCOCC1.[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 6-(2-cyclopropylsulfonylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2,3-dihydro-1,3-thiazol-2-yl)-6-[1-(1-methylpiperidin-4-yl)sulfonylimidazol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen?

The InChIKey is AULOMQOCYBIPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N6O4S.C33H37N5O5S.C30H36N10O3S2.C30H30N6O3S2.4H2/c1-23(2)45(3,43)29-12-6-24(7-13-29)30-20-25-21-36-34(37-26-8-10-27(11-9-26)44-28-14-16-35-17-15-28)38-32(25)40(33(30)42)22-31(41)39-18-4-5-19-39;39-32-29(28-5-1-2-6-30(28)44(40,41)27-11-12-27)18-23-19-35-33(37-31(23)38(32)21-22-13-16-42-17-14-22)36-24-7-9-25(10-8-24)43-26-4-3-15-34-20-26;1-37-13-8-24(9-14-37)45(42,43)39-15-10-31-27(39)25-17-20-18-33-29(36-26(20)40(28(25)41)30-32-11-16-44-30)35-22-5-3-21(4-6-22)34-23-7-12-38(2)19-23;1-35-12-13-39-26(18-35)20-7-9-23(10-8-20)33-30-32-17-22-16-25(21-5-4-6-24(15-21)41(2,3)38)29(37)36(28(22)34-30)19-27-31-11-14-40-27;;;;/h6-13,20-21,23,28,35H,3-5,14-19,22H2,1-2H3,(H,36,37,38);1-2,5-10,18-19,22,26-27,34H,3-4,11-17,20-21H2,(H,35,36,37);3-6,10-11,15-18,23-24,30,32,34H,7-9,12-14,19H2,1-2H3,(H,33,35,36);4-11,14-17,26H,2,12-13,18-19H2,1,3H3,(H,32,33,34);4*1H.

What are the key properties of 6-(2-cyclopropylsulfonylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2,3-dihydro-1,3-thiazol-2-yl)-6-[1-(1-methylpiperidin-4-yl)sulfonylimidazol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen?

6-(2-cyclopropylsulfonylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2,3-dihydro-1,3-thiazol-2-yl)-6-[1-(1-methylpiperidin-4-yl)sulfonylimidazol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen has a molecular weight of 2488.18 g/mol, XLogP of 17.58, 33 rotatable bonds, 8 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-cyclopropylsulfonylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;8-(2,3-dihydro-1,3-thiazol-2-yl)-6-[1-(1-methylpiperidin-4-yl)sulfonylimidazol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[4-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)phenyl]-8-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen is sourced from PubChem (CID 157234324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).