6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(6-fluoro-1-benzofuran-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;7-(5,6-difluoro-1-benzofuran-7-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(6-fluoro-1-benzofuran-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(6-fluorofuro[3,2-b]pyridin-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one

C134H132ClF8N25O12 — CID 167672812

IUPAC6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(6-fluoro-1-benzofuran-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;7-(5,6-difluoro-1-benzofuran-7-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(6-fluoro-1-benzofuran-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(6-fluorofuro[3,2-b]pyridin-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
SMILESC=CC(=O)N1CCN(c2nc(=O)n(Cc3c(C)ccnc3C(C)C)c3nc(-c4c(F)cnc5ccoc45)c(F)cc23)[C@@H](C)C1.C=CC(=O)N1C[C@H](C)N(c2nc(=O)n(Cc3c(C)ccnc3C(C)C)c3nc(-c4c(F)c(F)cc5ccoc45)c(F)cc23)C[C@H]1C.C=CC(=O)N1C[C@H](C)N(c2nc(=O)n(Cc3c(C)ccnc3C(C)C)c3nc(-c4c(F)ccc5ccoc45)c(Cl)cc23)C[C@H]1C.C=CC(=O)N1C[C@H](C)N(c2nc(=O)n(Cc3c(C)ccnc3C(C)C)c3nc(-c4c(F)ccc5ccoc45)c(F)cc23)C[C@H]1C
InChIInChI=1S/C34H34ClFN6O3.C34H33F3N6O3.C34H34F2N6O3.C32H31F2N7O3/c1-7-27(43)40-15-21(6)41(16-20(40)5)33-23-14-25(35)30(28-26(36)9-8-22-11-13-45-31(22)28)38-32(23)42(34(44)39-33)17-24-19(4)10-12-37-29(24)18(2)3;1-7-26(44)41-14-20(6)42(15-19(41)5)33-22-13-25(36)30(27-28(37)24(35)12-21-9-11-46-31(21)27)39-32(22)43(34(45)40-33)16-23-18(4)8-10-38-29(23)17(2)3;1-7-27(43)40-15-21(6)41(16-20(40)5)33-23-14-26(36)30(28-25(35)9-8-22-11-13-45-31(22)28)38-32(23)42(34(44)39-33)17-24-19(4)10-12-37-29(24)18(2)3;1-6-25(42)39-10-11-40(19(5)15-39)31-20-13-22(33)28(26-23(34)14-36-24-8-12-44-29(24)26)37-30(20)41(32(43)38-31)16-21-18(4)7-9-35-27(21)17(2)3/h7-14,18,20-21H,1,15-17H2,2-6H3;7-13,17,19-20H,1,14-16H2,2-6H3;7-14,18,20-21H,1,15-17H2,2-6H3;6-9,12-14,17,19H,1,10-11,15-16H2,2-5H3/t20-,21+;19-,20+;20-,21+;19-/m1110/s1
InChIKeyUJLOBKZTOLZQKI-JIIIEARTSA-N
MW2472.13 g/mol
LogP23.54
Rot. Bonds24

About 6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(6-fluoro-1-benzofuran-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;7-(5,6-difluoro-1-benzofuran-7-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(6-fluoro-1-benzofuran-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(6-fluorofuro[3,2-b]pyridin-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one

6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(6-fluoro-1-benzofuran-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;7-(5,6-difluoro-1-benzofuran-7-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(6-fluoro-1-benzofuran-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(6-fluorofuro[3,2-b]pyridin-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one (PubChem CID 167672812) has the molecular formula C134H132ClF8N25O12 and a molecular weight of 2472.13 g/mol. Its IUPAC name is 6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(6-fluoro-1-benzofuran-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;7-(5,6-difluoro-1-benzofuran-7-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(6-fluoro-1-benzofuran-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(6-fluorofuro[3,2-b]pyridin-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(6-fluoro-1-benzofuran-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;7-(5,6-difluoro-1-benzofuran-7-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(6-fluoro-1-benzofuran-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(6-fluorofuro[3,2-b]pyridin-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
PubChem CID167672812
Molecular FormulaC134H132ClF8N25O12
Molecular Weight2472.13 g/mol
Exact Mass2470.00
IUPAC Name6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(6-fluoro-1-benzofuran-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;7-(5,6-difluoro-1-benzofuran-7-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(6-fluoro-1-benzofuran-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(6-fluorofuro[3,2-b]pyridin-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
SMILESC=CC(=O)N1CCN(c2nc(=O)n(Cc3c(C)ccnc3C(C)C)c3nc(-c4c(F)cnc5ccoc45)c(F)cc23)[C@@H](C)C1.C=CC(=O)N1C[C@H](C)N(c2nc(=O)n(Cc3c(C)ccnc3C(C)C)c3nc(-c4c(F)c(F)cc5ccoc45)c(F)cc23)C[C@H]1C.C=CC(=O)N1C[C@H](C)N(c2nc(=O)n(Cc3c(C)ccnc3C(C)C)c3nc(-c4c(F)ccc5ccoc45)c(Cl)cc23)C[C@H]1C.C=CC(=O)N1C[C@H](C)N(c2nc(=O)n(Cc3c(C)ccnc3C(C)C)c3nc(-c4c(F)ccc5ccoc45)c(F)cc23)C[C@H]1C
InChIInChI=1S/C34H34ClFN6O3.C34H33F3N6O3.C34H34F2N6O3.C32H31F2N7O3/c1-7-27(43)40-15-21(6)41(16-20(40)5)33-23-14-25(35)30(28-26(36)9-8-22-11-13-45-31(22)28)38-32(23)42(34(44)39-33)17-24-19(4)10-12-37-29(24)18(2)3;1-7-26(44)41-14-20(6)42(15-19(41)5)33-22-13-25(36)30(27-28(37)24(35)12-21-9-11-46-31(21)27)39-32(22)43(34(45)40-33)16-23-18(4)8-10-38-29(23)17(2)3;1-7-27(43)40-15-21(6)41(16-20(40)5)33-23-14-26(36)30(28-25(35)9-8-22-11-13-45-31(22)28)38-32(23)42(34(44)39-33)17-24-19(4)10-12-37-29(24)18(2)3;1-6-25(42)39-10-11-40(19(5)15-39)31-20-13-22(33)28(26-23(34)14-36-24-8-12-44-29(24)26)37-30(20)41(32(43)38-31)16-21-18(4)7-9-35-27(21)17(2)3/h7-14,18,20-21H,1,15-17H2,2-6H3;7-13,17,19-20H,1,14-16H2,2-6H3;7-14,18,20-21H,1,15-17H2,2-6H3;6-9,12-14,17,19H,1,10-11,15-16H2,2-5H3/t20-,21+;19-,20+;20-,21+;19-/m1110/s1
InChIKeyUJLOBKZTOLZQKI-JIIIEARTSA-N
XLogP23.54
TPSA402.33 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds24
Heavy Atoms180
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002472.13
LogP ≤ 523.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze 6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(6-fluoro-1-benzofuran-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;7-(5,6-difluoro-1-benzofuran-7-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(6-fluoro-1-benzofuran-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(6-fluorofuro[3,2-b]pyridin-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(6-fluoro-1-benzofuran-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;7-(5,6-difluoro-1-benzofuran-7-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(6-fluoro-1-benzofuran-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(6-fluorofuro[3,2-b]pyridin-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(6-fluoro-1-benzofuran-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;7-(5,6-difluoro-1-benzofuran-7-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(6-fluoro-1-benzofuran-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(6-fluorofuro[3,2-b]pyridin-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one (CID 167672812) is 6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(6-fluoro-1-benzofuran-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;7-(5,6-difluoro-1-benzofuran-7-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(6-fluoro-1-benzofuran-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(6-fluorofuro[3,2-b]pyridin-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(6-fluoro-1-benzofuran-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;7-(5,6-difluoro-1-benzofuran-7-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(6-fluoro-1-benzofuran-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(6-fluorofuro[3,2-b]pyridin-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(6-fluoro-1-benzofuran-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;7-(5,6-difluoro-1-benzofuran-7-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(6-fluoro-1-benzofuran-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(6-fluorofuro[3,2-b]pyridin-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one is C=CC(=O)N1CCN(c2nc(=O)n(Cc3c(C)ccnc3C(C)C)c3nc(-c4c(F)cnc5ccoc45)c(F)cc23)[C@@H](C)C1.C=CC(=O)N1C[C@H](C)N(c2nc(=O)n(Cc3c(C)ccnc3C(C)C)c3nc(-c4c(F)c(F)cc5ccoc45)c(F)cc23)C[C@H]1C.C=CC(=O)N1C[C@H](C)N(c2nc(=O)n(Cc3c(C)ccnc3C(C)C)c3nc(-c4c(F)ccc5ccoc45)c(Cl)cc23)C[C@H]1C.C=CC(=O)N1C[C@H](C)N(c2nc(=O)n(Cc3c(C)ccnc3C(C)C)c3nc(-c4c(F)ccc5ccoc45)c(F)cc23)C[C@H]1C.
What is the InChIKey of 6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(6-fluoro-1-benzofuran-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;7-(5,6-difluoro-1-benzofuran-7-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(6-fluoro-1-benzofuran-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(6-fluorofuro[3,2-b]pyridin-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is UJLOBKZTOLZQKI-JIIIEARTSA-N. The full InChI is InChI=1S/C34H34ClFN6O3.C34H33F3N6O3.C34H34F2N6O3.C32H31F2N7O3/c1-7-27(43)40-15-21(6)41(16-20(40)5)33-23-14-25(35)30(28-26(36)9-8-22-11-13-45-31(22)28)38-32(23)42(34(44)39-33)17-24-19(4)10-12-37-29(24)18(2)3;1-7-26(44)41-14-20(6)42(15-19(41)5)33-22-13-25(36)30(27-28(37)24(35)12-21-9-11-46-31(21)27)39-32(22)43(34(45)40-33)16-23-18(4)8-10-38-29(23)17(2)3;1-7-27(43)40-15-21(6)41(16-20(40)5)33-23-14-26(36)30(28-25(35)9-8-22-11-13-45-31(22)28)38-32(23)42(34(44)39-33)17-24-19(4)10-12-37-29(24)18(2)3;1-6-25(42)39-10-11-40(19(5)15-39)31-20-13-22(33)28(26-23(34)14-36-24-8-12-44-29(24)26)37-30(20)41(32(43)38-31)16-21-18(4)7-9-35-27(21)17(2)3/h7-14,18,20-21H,1,15-17H2,2-6H3;7-13,17,19-20H,1,14-16H2,2-6H3;7-14,18,20-21H,1,15-17H2,2-6H3;6-9,12-14,17,19H,1,10-11,15-16H2,2-5H3/t20-,21+;19-,20+;20-,21+;19-/m1110/s1.
What are the key properties of 6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(6-fluoro-1-benzofuran-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;7-(5,6-difluoro-1-benzofuran-7-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(6-fluoro-1-benzofuran-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(6-fluorofuro[3,2-b]pyridin-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?
6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(6-fluoro-1-benzofuran-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;7-(5,6-difluoro-1-benzofuran-7-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(6-fluoro-1-benzofuran-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(6-fluorofuro[3,2-b]pyridin-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 2472.13 g/mol, XLogP of 23.54, 24 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(6-fluoro-1-benzofuran-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;7-(5,6-difluoro-1-benzofuran-7-yl)-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(6-fluoro-1-benzofuran-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(6-fluorofuro[3,2-b]pyridin-7-yl)-1-[(4-methyl-2-propan-2-yl-3-pyridinyl)methyl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 167672812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).