N-[2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]cyclopropanecarboxamide;6-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-methylphenyl)-4-(2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;methyl N-[2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]carbamate

C101H109Cl3F2N20O9 — CID 162023577

About N-[2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]cyclopropanecarboxamide;6-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-methylphenyl)-4-(2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;methyl N-[2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]carbamate

N-[2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]cyclopropanecarboxamide;6-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-methylphenyl)-4-(2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;methyl N-[2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]carbamate (PubChem CID 162023577) has the molecular formula C101H109Cl3F2N20O9 and a molecular weight of 1891.47 g/mol. Its IUPAC name is N-[2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]cyclopropanecarboxamide;6-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-methylphenyl)-4-(2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;methyl N-[2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]carbamate.

Molecular Properties

• Compound Name: N-[2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]cyclopropanecarboxamide;6-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-methylphenyl)-4-(2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;methyl N-[2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]carbamate
• PubChem CID: 162023577
• Molecular Formula: C101H109Cl3F2N20O9
• Molecular Weight: 1891.47 g/mol
• Exact Mass: 1888.77
• IUPAC Name: N-[2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]cyclopropanecarboxamide;6-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-methylphenyl)-4-(2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;methyl N-[2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]carbamate
• SMILES: C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(F)cccc4NC(=O)C4CC4)c(Cl)cc23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(F)cccc4NC(=O)OC)c(Cl)cc23)CC1C.C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C(C)C)ccnc3C(C)C)c3nc(-c4ccccc4C)c(Cl)cc23)C(C)C1
• InChI: InChI=1S/C35H37ClFN7O3.C33H35ClFN7O4.C33H37ClN6O2/c1-7-27(45)42-16-21(6)43(17-20(42)5)32-23-15-24(36)30(28-25(37)9-8-10-26(28)39-34(46)22-11-12-22)40-33(23)44(35(47)41-32)31-19(4)13-14-38-29(31)18(2)3;1-8-25(43)40-15-20(6)41(16-19(40)5)30-21-14-22(34)28(26-23(35)10-9-11-24(26)37-33(45)46-7)38-31(21)42(32(44)39-30)29-18(4)12-13-36-27(29)17(2)3;1-8-27(41)38-15-16-39(22(7)18-38)31-25-17-26(34)29(24-12-10-9-11-21(24)6)36-32(25)40(33(42)37-31)30-23(19(2)3)13-14-35-28(30)20(4)5/h7-10,13-15,18,20-22H,1,11-12,16-17H2,2-6H3,(H,39,46);8-14,17,19-20H,1,15-16H2,2-7H3,(H,37,45);8-14,17,19-20,22H,1,15-16,18H2,2-7H3
• InChIKey: YVBKPZIAUACDPJ-UHFFFAOYSA-N
• XLogP: 18.16
• TPSA: 320.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 19
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1891.47
LogP ≤ 5	18.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]cyclopropanecarboxamide;6-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-methylphenyl)-4-(2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;methyl N-[2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]carbamate?

The IUPAC name of N-[2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]cyclopropanecarboxamide;6-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-methylphenyl)-4-(2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;methyl N-[2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]carbamate (CID 162023577) is N-[2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]cyclopropanecarboxamide;6-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-methylphenyl)-4-(2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;methyl N-[2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]carbamate.

What is the SMILES notation for N-[2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]cyclopropanecarboxamide;6-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-methylphenyl)-4-(2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;methyl N-[2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]carbamate?

The canonical SMILES for N-[2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]cyclopropanecarboxamide;6-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-methylphenyl)-4-(2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;methyl N-[2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]carbamate is C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(F)cccc4NC(=O)C4CC4)c(Cl)cc23)CC1C.C=CC(=O)N1CC(C)N(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(F)cccc4NC(=O)OC)c(Cl)cc23)CC1C.C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C(C)C)ccnc3C(C)C)c3nc(-c4ccccc4C)c(Cl)cc23)C(C)C1.

What is the InChIKey of N-[2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]cyclopropanecarboxamide;6-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-methylphenyl)-4-(2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;methyl N-[2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]carbamate?

The InChIKey is YVBKPZIAUACDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37ClFN7O3.C33H35ClFN7O4.C33H37ClN6O2/c1-7-27(45)42-16-21(6)43(17-20(42)5)32-23-15-24(36)30(28-25(37)9-8-10-26(28)39-34(46)22-11-12-22)40-33(23)44(35(47)41-32)31-19(4)13-14-38-29(31)18(2)3;1-8-25(43)40-15-20(6)41(16-19(40)5)30-21-14-22(34)28(26-23(35)10-9-11-24(26)37-33(45)46-7)38-31(21)42(32(44)39-30)29-18(4)12-13-36-27(29)17(2)3;1-8-27(41)38-15-16-39(22(7)18-38)31-25-17-26(34)29(24-12-10-9-11-21(24)6)36-32(25)40(33(42)37-31)30-23(19(2)3)13-14-35-28(30)20(4)5/h7-10,13-15,18,20-22H,1,11-12,16-17H2,2-6H3,(H,39,46);8-14,17,19-20H,1,15-16H2,2-7H3,(H,37,45);8-14,17,19-20,22H,1,15-16,18H2,2-7H3.

What are the key properties of N-[2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]cyclopropanecarboxamide;6-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-methylphenyl)-4-(2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;methyl N-[2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]carbamate?

N-[2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]cyclopropanecarboxamide;6-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-methylphenyl)-4-(2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;methyl N-[2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]carbamate has a molecular weight of 1891.47 g/mol, XLogP of 18.16, 19 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]cyclopropanecarboxamide;6-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-methylphenyl)-4-(2-methyl-4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;methyl N-[2-[6-chloro-4-(2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-7-yl]-3-fluorophenyl]carbamate is sourced from PubChem (CID 162023577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).