8-(3-aminophenyl)-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-(2-methylsulfonyl-7-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-[2-(4-morpholin-4-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]carbamate;ethane;4-morpholin-4-ylaniline;N-[3-[2-(4-morpholin-4-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide;bis(nickel(3+));propane;prop-2-enoyl chloride

C135H167ClN24Ni2O20S — CID 158699382

About 8-(3-aminophenyl)-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-(2-methylsulfonyl-7-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-[2-(4-morpholin-4-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]carbamate;ethane;4-morpholin-4-ylaniline;N-[3-[2-(4-morpholin-4-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide;bis(nickel(3+));propane;prop-2-enoyl chloride

8-(3-aminophenyl)-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-(2-methylsulfonyl-7-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-[2-(4-morpholin-4-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]carbamate;ethane;4-morpholin-4-ylaniline;N-[3-[2-(4-morpholin-4-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide;bis(nickel(3+));propane;prop-2-enoyl chloride (PubChem CID 158699382) has the molecular formula C135H167ClN24Ni2O20S and a molecular weight of 2630.87 g/mol. Its IUPAC name is 8-(3-aminophenyl)-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-(2-methylsulfonyl-7-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-[2-(4-morpholin-4-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]carbamate;ethane;4-morpholin-4-ylaniline;N-[3-[2-(4-morpholin-4-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide;bis(nickel(3+));propane;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: 8-(3-aminophenyl)-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-(2-methylsulfonyl-7-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-[2-(4-morpholin-4-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]carbamate;ethane;4-morpholin-4-ylaniline;N-[3-[2-(4-morpholin-4-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide;bis(nickel(3+));propane;prop-2-enoyl chloride
• PubChem CID: 158699382
• Molecular Formula: C135H167ClN24Ni2O20S
• Molecular Weight: 2630.87 g/mol
• Exact Mass: 2627.09
• IUPAC Name: 8-(3-aminophenyl)-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-(2-methylsulfonyl-7-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-[2-(4-morpholin-4-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]carbamate;ethane;4-morpholin-4-ylaniline;N-[3-[2-(4-morpholin-4-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide;bis(nickel(3+));propane;prop-2-enoyl chloride
• SMILES: C=CC(=O)Cl.C=CC(=O)Nc1cccc(-n2c(=O)ccc3cnc(Nc4ccc(N5CCOCC5)cc4)nc32)c1.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cccc(-n2c(=O)ccc3cnc(Nc4ccc(N5CCOCC5)cc4)nc32)c1.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cccc(-n2c(=O)ccc3cnc(S(C)(=O)=O)nc32)c1.Nc1ccc(N2CCOCC2)cc1.Nc1cccc(-n2c(=O)ccc3cnc(Nc4ccc(N5CCOCC5)cc4)nc32)c1.[CH2-]C.[CH2-]C.[CH2-]CC.[CH2-]CC.[CH2-]CC.[CH2-]CC.[Ni+3].[Ni+3]
• InChI: InChI=1S/C33H38N6O6.C26H24N6O3.C24H28N4O7S.C23H22N6O2.C10H14N2O.C3H3ClO.4C3H7.2C2H5.2Ni/c1-32(2,3)44-30(41)39(31(42)45-33(4,5)6)26-9-7-8-25(20-26)38-27(40)15-10-22-21-34-29(36-28(22)38)35-23-11-13-24(14-12-23)37-16-18-43-19-17-37;1-2-23(33)28-20-4-3-5-22(16-20)32-24(34)11-6-18-17-27-26(30-25(18)32)29-19-7-9-21(10-8-19)31-12-14-35-15-13-31;1-23(2,3)34-21(30)28(22(31)35-24(4,5)6)17-10-8-9-16(13-17)27-18(29)12-11-15-14-25-20(26-19(15)27)36(7,32)33;24-17-2-1-3-20(14-17)29-21(30)9-4-16-15-25-23(27-22(16)29)26-18-5-7-19(8-6-18)28-10-12-31-13-11-28;11-9-1-3-10(4-2-9)12-5-7-13-8-6-12;1-2-3(4)5;4*1-3-2;2*1-2;;/h7-15,20-21H,16-19H2,1-6H3,(H,34,35,36);2-11,16-17H,1,12-15H2,(H,28,33)(H,27,29,30);8-14H,1-7H3;1-9,14-15H,10-13,24H2,(H,25,26,27);1-4H,5-8,11H2;2H,1H2;4*1,3H2,2H3;2*1H2,2H3;;/q;;;;;;6*-1;2*+3
• InChIKey: IHIPIHRDEROWGB-UHFFFAOYSA-N
• XLogP: 24.97
• TPSA: 521.12 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 41
• Rotatable Bonds: 20
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2630.87
LogP ≤ 5	24.97
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-(3-aminophenyl)-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-(2-methylsulfonyl-7-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-[2-(4-morpholin-4-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]carbamate;ethane;4-morpholin-4-ylaniline;N-[3-[2-(4-morpholin-4-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide;bis(nickel(3+));propane;prop-2-enoyl chloride?

The IUPAC name of 8-(3-aminophenyl)-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-(2-methylsulfonyl-7-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-[2-(4-morpholin-4-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]carbamate;ethane;4-morpholin-4-ylaniline;N-[3-[2-(4-morpholin-4-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide;bis(nickel(3+));propane;prop-2-enoyl chloride (CID 158699382) is 8-(3-aminophenyl)-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-(2-methylsulfonyl-7-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-[2-(4-morpholin-4-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]carbamate;ethane;4-morpholin-4-ylaniline;N-[3-[2-(4-morpholin-4-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide;bis(nickel(3+));propane;prop-2-enoyl chloride.

What is the SMILES notation for 8-(3-aminophenyl)-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-(2-methylsulfonyl-7-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-[2-(4-morpholin-4-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]carbamate;ethane;4-morpholin-4-ylaniline;N-[3-[2-(4-morpholin-4-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide;bis(nickel(3+));propane;prop-2-enoyl chloride?

The canonical SMILES for 8-(3-aminophenyl)-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-(2-methylsulfonyl-7-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-[2-(4-morpholin-4-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]carbamate;ethane;4-morpholin-4-ylaniline;N-[3-[2-(4-morpholin-4-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide;bis(nickel(3+));propane;prop-2-enoyl chloride is C=CC(=O)Cl.C=CC(=O)Nc1cccc(-n2c(=O)ccc3cnc(Nc4ccc(N5CCOCC5)cc4)nc32)c1.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cccc(-n2c(=O)ccc3cnc(Nc4ccc(N5CCOCC5)cc4)nc32)c1.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cccc(-n2c(=O)ccc3cnc(S(C)(=O)=O)nc32)c1.Nc1ccc(N2CCOCC2)cc1.Nc1cccc(-n2c(=O)ccc3cnc(Nc4ccc(N5CCOCC5)cc4)nc32)c1.[CH2-]C.[CH2-]C.[CH2-]CC.[CH2-]CC.[CH2-]CC.[CH2-]CC.[Ni+3].[Ni+3].

What is the InChIKey of 8-(3-aminophenyl)-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-(2-methylsulfonyl-7-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-[2-(4-morpholin-4-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]carbamate;ethane;4-morpholin-4-ylaniline;N-[3-[2-(4-morpholin-4-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide;bis(nickel(3+));propane;prop-2-enoyl chloride?

The InChIKey is IHIPIHRDEROWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N6O6.C26H24N6O3.C24H28N4O7S.C23H22N6O2.C10H14N2O.C3H3ClO.4C3H7.2C2H5.2Ni/c1-32(2,3)44-30(41)39(31(42)45-33(4,5)6)26-9-7-8-25(20-26)38-27(40)15-10-22-21-34-29(36-28(22)38)35-23-11-13-24(14-12-23)37-16-18-43-19-17-37;1-2-23(33)28-20-4-3-5-22(16-20)32-24(34)11-6-18-17-27-26(30-25(18)32)29-19-7-9-21(10-8-19)31-12-14-35-15-13-31;1-23(2,3)34-21(30)28(22(31)35-24(4,5)6)17-10-8-9-16(13-17)27-18(29)12-11-15-14-25-20(26-19(15)27)36(7,32)33;24-17-2-1-3-20(14-17)29-21(30)9-4-16-15-25-23(27-22(16)29)26-18-5-7-19(8-6-18)28-10-12-31-13-11-28;11-9-1-3-10(4-2-9)12-5-7-13-8-6-12;1-2-3(4)5;4*1-3-2;2*1-2;;/h7-15,20-21H,16-19H2,1-6H3,(H,34,35,36);2-11,16-17H,1,12-15H2,(H,28,33)(H,27,29,30);8-14H,1-7H3;1-9,14-15H,10-13,24H2,(H,25,26,27);1-4H,5-8,11H2;2H,1H2;4*1,3H2,2H3;2*1H2,2H3;;/q;;;;;;6*-1;2*+3.

What are the key properties of 8-(3-aminophenyl)-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-(2-methylsulfonyl-7-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-[2-(4-morpholin-4-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]carbamate;ethane;4-morpholin-4-ylaniline;N-[3-[2-(4-morpholin-4-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide;bis(nickel(3+));propane;prop-2-enoyl chloride?

8-(3-aminophenyl)-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-(2-methylsulfonyl-7-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-[2-(4-morpholin-4-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]carbamate;ethane;4-morpholin-4-ylaniline;N-[3-[2-(4-morpholin-4-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide;bis(nickel(3+));propane;prop-2-enoyl chloride has a molecular weight of 2630.87 g/mol, XLogP of 24.97, 20 rotatable bonds, 6 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(3-aminophenyl)-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-(2-methylsulfonyl-7-oxopyrido[2,3-d]pyrimidin-8-yl)phenyl]carbamate;tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-[2-(4-morpholin-4-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]carbamate;ethane;4-morpholin-4-ylaniline;N-[3-[2-(4-morpholin-4-ylanilino)-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide;bis(nickel(3+));propane;prop-2-enoyl chloride is sourced from PubChem (CID 158699382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).