6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxo-6-[5-(1-prop-1-en-2-ylpiperidin-4-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]acetamide;2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-[4-(1-prop-1-en-2-ylpiperidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-6-[1-(1-prop-1-en-2-ylpiperidin-4-yl)imidazol-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;dihydrate

C146H182N30O13 — CID 157056674

About 6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxo-6-[5-(1-prop-1-en-2-ylpiperidin-4-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]acetamide;2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-[4-(1-prop-1-en-2-ylpiperidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-6-[1-(1-prop-1-en-2-ylpiperidin-4-yl)imidazol-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;dihydrate

6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxo-6-[5-(1-prop-1-en-2-ylpiperidin-4-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]acetamide;2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-[4-(1-prop-1-en-2-ylpiperidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-6-[1-(1-prop-1-en-2-ylpiperidin-4-yl)imidazol-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;dihydrate (PubChem CID 157056674) has the molecular formula C146H182N30O13 and a molecular weight of 2565.26 g/mol. Its IUPAC name is 6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxo-6-[5-(1-prop-1-en-2-ylpiperidin-4-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]acetamide;2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-[4-(1-prop-1-en-2-ylpiperidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-6-[1-(1-prop-1-en-2-ylpiperidin-4-yl)imidazol-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;dihydrate.

Molecular Properties

• Compound Name: 6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxo-6-[5-(1-prop-1-en-2-ylpiperidin-4-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]acetamide;2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-[4-(1-prop-1-en-2-ylpiperidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-6-[1-(1-prop-1-en-2-ylpiperidin-4-yl)imidazol-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;dihydrate
• PubChem CID: 157056674
• Molecular Formula: C146H182N30O13
• Molecular Weight: 2565.26 g/mol
• Exact Mass: 2563.45
• IUPAC Name: 6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxo-6-[5-(1-prop-1-en-2-ylpiperidin-4-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]acetamide;2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-[4-(1-prop-1-en-2-ylpiperidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-6-[1-(1-prop-1-en-2-ylpiperidin-4-yl)imidazol-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;dihydrate
• SMILES: C=C(C)N1CCC(c2ccc(-c3cc4cnc(Nc5ccc(C6CCN(C)CC6)cc5)nc4n(CCN(C)C(C)=O)c3=O)nc2)CC1.C=C(C)N1CCC(n2ccnc2-c2cc3cnc(Nc4ccc(OC5CCNC5)cc4)nc3n(CC3CCOCC3)c2=O)CC1.C=C(C)N1CCCCC1c1ccc(-c2cc3cnc(Nc4ccc(C5CCCN(C)C5)cc4)nc3n(CCN3CCOCC3)c2=O)cc1.CC(=O)N1CCCC(c2ccccc2-c2cc3cnc(Nc4ccc(C5CNCCO5)cc4)nc3n(CC(=O)N3CCCC3)c2=O)C1.O.O
• InChI: InChI=1S/C39H49N7O2.C37H46N8O2.C36H41N7O4.C34H42N8O3.2H2O/c1-28(2)45-18-5-4-8-36(45)31-11-9-30(10-12-31)35-25-33-26-40-39(41-34-15-13-29(14-16-34)32-7-6-17-43(3)27-32)42-37(33)46(38(35)47)20-19-44-21-23-48-24-22-44;1-25(2)44-18-14-29(15-19-44)30-8-11-34(38-23-30)33-22-31-24-39-37(41-35(31)45(36(33)47)21-20-43(5)26(3)46)40-32-9-6-27(7-10-32)28-12-16-42(4)17-13-28;1-24(44)42-17-6-7-26(22-42)29-8-2-3-9-30(29)31-19-27-20-38-36(39-28-12-10-25(11-13-28)32-21-37-14-18-47-32)40-34(27)43(35(31)46)23-33(45)41-15-4-5-16-41;1-23(2)40-14-8-27(9-15-40)41-16-13-36-32(41)30-19-25-20-37-34(38-26-3-5-28(6-4-26)45-29-7-12-35-21-29)39-31(25)42(33(30)43)22-24-10-17-44-18-11-24;;/h9-16,25-26,32,36H,1,4-8,17-24,27H2,2-3H3,(H,40,41,42);6-11,22-24,28-29H,1,12-21H2,2-5H3,(H,39,40,41);2-3,8-13,19-20,26,32,37H,4-7,14-18,21-23H2,1H3,(H,38,39,40);3-6,13,16,19-20,24,27,29,35H,1,7-12,14-15,17-18,21-22H2,2H3,(H,37,38,39);2*1H2
• InChIKey: NGRNFPWKUKOELE-UHFFFAOYSA-N
• XLogP: 19.30
• TPSA: 474.30 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 38
• Rotatable Bonds: 34
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2565.26
LogP ≤ 5	19.30
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxo-6-[5-(1-prop-1-en-2-ylpiperidin-4-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]acetamide;2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-[4-(1-prop-1-en-2-ylpiperidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-6-[1-(1-prop-1-en-2-ylpiperidin-4-yl)imidazol-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;dihydrate?

The IUPAC name of 6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxo-6-[5-(1-prop-1-en-2-ylpiperidin-4-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]acetamide;2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-[4-(1-prop-1-en-2-ylpiperidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-6-[1-(1-prop-1-en-2-ylpiperidin-4-yl)imidazol-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;dihydrate (CID 157056674) is 6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxo-6-[5-(1-prop-1-en-2-ylpiperidin-4-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]acetamide;2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-[4-(1-prop-1-en-2-ylpiperidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-6-[1-(1-prop-1-en-2-ylpiperidin-4-yl)imidazol-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;dihydrate.

What is the SMILES notation for 6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxo-6-[5-(1-prop-1-en-2-ylpiperidin-4-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]acetamide;2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-[4-(1-prop-1-en-2-ylpiperidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-6-[1-(1-prop-1-en-2-ylpiperidin-4-yl)imidazol-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;dihydrate?

The canonical SMILES for 6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxo-6-[5-(1-prop-1-en-2-ylpiperidin-4-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]acetamide;2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-[4-(1-prop-1-en-2-ylpiperidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-6-[1-(1-prop-1-en-2-ylpiperidin-4-yl)imidazol-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;dihydrate is C=C(C)N1CCC(c2ccc(-c3cc4cnc(Nc5ccc(C6CCN(C)CC6)cc5)nc4n(CCN(C)C(C)=O)c3=O)nc2)CC1.C=C(C)N1CCC(n2ccnc2-c2cc3cnc(Nc4ccc(OC5CCNC5)cc4)nc3n(CC3CCOCC3)c2=O)CC1.C=C(C)N1CCCCC1c1ccc(-c2cc3cnc(Nc4ccc(C5CCCN(C)C5)cc4)nc3n(CCN3CCOCC3)c2=O)cc1.CC(=O)N1CCCC(c2ccccc2-c2cc3cnc(Nc4ccc(C5CNCCO5)cc4)nc3n(CC(=O)N3CCCC3)c2=O)C1.O.O.

What is the InChIKey of 6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxo-6-[5-(1-prop-1-en-2-ylpiperidin-4-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]acetamide;2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-[4-(1-prop-1-en-2-ylpiperidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-6-[1-(1-prop-1-en-2-ylpiperidin-4-yl)imidazol-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;dihydrate?

The InChIKey is NGRNFPWKUKOELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H49N7O2.C37H46N8O2.C36H41N7O4.C34H42N8O3.2H2O/c1-28(2)45-18-5-4-8-36(45)31-11-9-30(10-12-31)35-25-33-26-40-39(41-34-15-13-29(14-16-34)32-7-6-17-43(3)27-32)42-37(33)46(38(35)47)20-19-44-21-23-48-24-22-44;1-25(2)44-18-14-29(15-19-44)30-8-11-34(38-23-30)33-22-31-24-39-37(41-35(31)45(36(33)47)21-20-43(5)26(3)46)40-32-9-6-27(7-10-32)28-12-16-42(4)17-13-28;1-24(44)42-17-6-7-26(22-42)29-8-2-3-9-30(29)31-19-27-20-38-36(39-28-12-10-25(11-13-28)32-21-37-14-18-47-32)40-34(27)43(35(31)46)23-33(45)41-15-4-5-16-41;1-23(2)40-14-8-27(9-15-40)41-16-13-36-32(41)30-19-25-20-37-34(38-26-3-5-28(6-4-26)45-29-7-12-35-21-29)39-31(25)42(33(30)43)22-24-10-17-44-18-11-24;;/h9-16,25-26,32,36H,1,4-8,17-24,27H2,2-3H3,(H,40,41,42);6-11,22-24,28-29H,1,12-21H2,2-5H3,(H,39,40,41);2-3,8-13,19-20,26,32,37H,4-7,14-18,21-23H2,1H3,(H,38,39,40);3-6,13,16,19-20,24,27,29,35H,1,7-12,14-15,17-18,21-22H2,2H3,(H,37,38,39);2*1H2.

What are the key properties of 6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxo-6-[5-(1-prop-1-en-2-ylpiperidin-4-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]acetamide;2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-[4-(1-prop-1-en-2-ylpiperidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-6-[1-(1-prop-1-en-2-ylpiperidin-4-yl)imidazol-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;dihydrate?

6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxo-6-[5-(1-prop-1-en-2-ylpiperidin-4-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]acetamide;2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-[4-(1-prop-1-en-2-ylpiperidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-6-[1-(1-prop-1-en-2-ylpiperidin-4-yl)imidazol-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;dihydrate has a molecular weight of 2565.26 g/mol, XLogP of 19.30, 34 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[2-[4-(1-methylpiperidin-4-yl)anilino]-7-oxo-6-[5-(1-prop-1-en-2-ylpiperidin-4-yl)-2-pyridinyl]pyrido[2,3-d]pyrimidin-8-yl]ethyl]acetamide;2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)-6-[4-(1-prop-1-en-2-ylpiperidin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-6-[1-(1-prop-1-en-2-ylpiperidin-4-yl)imidazol-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;dihydrate is sourced from PubChem (CID 157056674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).