6-fluoro-7-(2-fluoro-6-hydroxy-3-methylsulfanylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(2-fluoro-6-hydroxy-4-methylsulfanylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;4-[6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-2-oxopyrido[2,3-d]pyrimidin-1-yl]-N,N,3-trimethyl-5-propan-2-ylbenzamide

C96H100F6N18O10S2 — CID 165056835

About 6-fluoro-7-(2-fluoro-6-hydroxy-3-methylsulfanylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(2-fluoro-6-hydroxy-4-methylsulfanylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;4-[6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-2-oxopyrido[2,3-d]pyrimidin-1-yl]-N,N,3-trimethyl-5-propan-2-ylbenzamide

6-fluoro-7-(2-fluoro-6-hydroxy-3-methylsulfanylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(2-fluoro-6-hydroxy-4-methylsulfanylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;4-[6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-2-oxopyrido[2,3-d]pyrimidin-1-yl]-N,N,3-trimethyl-5-propan-2-ylbenzamide (PubChem CID 165056835) has the molecular formula C96H100F6N18O10S2 and a molecular weight of 1844.09 g/mol. Its IUPAC name is 6-fluoro-7-(2-fluoro-6-hydroxy-3-methylsulfanylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(2-fluoro-6-hydroxy-4-methylsulfanylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;4-[6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-2-oxopyrido[2,3-d]pyrimidin-1-yl]-N,N,3-trimethyl-5-propan-2-ylbenzamide.

Molecular Properties

• Compound Name: 6-fluoro-7-(2-fluoro-6-hydroxy-3-methylsulfanylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(2-fluoro-6-hydroxy-4-methylsulfanylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;4-[6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-2-oxopyrido[2,3-d]pyrimidin-1-yl]-N,N,3-trimethyl-5-propan-2-ylbenzamide
• PubChem CID: 165056835
• Molecular Formula: C96H100F6N18O10S2
• Molecular Weight: 1844.09 g/mol
• Exact Mass: 1842.72
• IUPAC Name: 6-fluoro-7-(2-fluoro-6-hydroxy-3-methylsulfanylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(2-fluoro-6-hydroxy-4-methylsulfanylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;4-[6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-2-oxopyrido[2,3-d]pyrimidin-1-yl]-N,N,3-trimethyl-5-propan-2-ylbenzamide
• SMILES: C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)cc(C(=O)N(C)C)cc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cc(SC)cc4F)c(F)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)ccc(SC)c4F)c(F)cc23)[C@@H](C)C1
• InChI: InChI=1S/C34H36F2N6O4.2C31H32F2N6O3S/c1-8-27(44)40-12-13-41(20(5)17-40)31-23-16-25(36)29(28-24(35)10-9-11-26(28)43)37-32(23)42(34(46)38-31)30-19(4)14-21(33(45)39(6)7)15-22(30)18(2)3;1-7-24(41)37-10-11-38(18(5)15-37)29-20-14-22(33)27(25-21(32)12-19(43-6)13-23(25)40)35-30(20)39(31(42)36-29)28-17(4)8-9-34-26(28)16(2)3;1-7-23(41)37-12-13-38(18(5)15-37)29-19-14-20(32)27(24-21(40)8-9-22(43-6)25(24)33)35-30(19)39(31(42)36-29)28-17(4)10-11-34-26(28)16(2)3/h8-11,14-16,18,20,43H,1,12-13,17H2,2-7H3;7-9,12-14,16,18,40H,1,10-11,15H2,2-6H3;7-11,14,16,18,40H,1,12-13,15H2,2-6H3/t20-;2*18-/m000/s1
• InChIKey: QOHVEAUMCOYZGW-LFZKOBMXSA-N
• XLogP: 15.19
• TPSA: 320.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 18
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1844.09
LogP ≤ 5	15.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-(2-fluoro-6-hydroxy-3-methylsulfanylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(2-fluoro-6-hydroxy-4-methylsulfanylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;4-[6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-2-oxopyrido[2,3-d]pyrimidin-1-yl]-N,N,3-trimethyl-5-propan-2-ylbenzamide?

The IUPAC name of 6-fluoro-7-(2-fluoro-6-hydroxy-3-methylsulfanylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(2-fluoro-6-hydroxy-4-methylsulfanylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;4-[6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-2-oxopyrido[2,3-d]pyrimidin-1-yl]-N,N,3-trimethyl-5-propan-2-ylbenzamide (CID 165056835) is 6-fluoro-7-(2-fluoro-6-hydroxy-3-methylsulfanylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(2-fluoro-6-hydroxy-4-methylsulfanylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;4-[6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-2-oxopyrido[2,3-d]pyrimidin-1-yl]-N,N,3-trimethyl-5-propan-2-ylbenzamide.

What is the SMILES notation for 6-fluoro-7-(2-fluoro-6-hydroxy-3-methylsulfanylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(2-fluoro-6-hydroxy-4-methylsulfanylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;4-[6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-2-oxopyrido[2,3-d]pyrimidin-1-yl]-N,N,3-trimethyl-5-propan-2-ylbenzamide?

The canonical SMILES for 6-fluoro-7-(2-fluoro-6-hydroxy-3-methylsulfanylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(2-fluoro-6-hydroxy-4-methylsulfanylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;4-[6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-2-oxopyrido[2,3-d]pyrimidin-1-yl]-N,N,3-trimethyl-5-propan-2-ylbenzamide is C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)cc(C(=O)N(C)C)cc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cc(SC)cc4F)c(F)cc23)[C@@H](C)C1.C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)ccc(SC)c4F)c(F)cc23)[C@@H](C)C1.

What is the InChIKey of 6-fluoro-7-(2-fluoro-6-hydroxy-3-methylsulfanylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(2-fluoro-6-hydroxy-4-methylsulfanylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;4-[6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-2-oxopyrido[2,3-d]pyrimidin-1-yl]-N,N,3-trimethyl-5-propan-2-ylbenzamide?

The InChIKey is QOHVEAUMCOYZGW-LFZKOBMXSA-N. The full InChI is InChI=1S/C34H36F2N6O4.2C31H32F2N6O3S/c1-8-27(44)40-12-13-41(20(5)17-40)31-23-16-25(36)29(28-24(35)10-9-11-26(28)43)37-32(23)42(34(46)38-31)30-19(4)14-21(33(45)39(6)7)15-22(30)18(2)3;1-7-24(41)37-10-11-38(18(5)15-37)29-20-14-22(33)27(25-21(32)12-19(43-6)13-23(25)40)35-30(20)39(31(42)36-29)28-17(4)8-9-34-26(28)16(2)3;1-7-23(41)37-12-13-38(18(5)15-37)29-19-14-20(32)27(24-21(40)8-9-22(43-6)25(24)33)35-30(19)39(31(42)36-29)28-17(4)10-11-34-26(28)16(2)3/h8-11,14-16,18,20,43H,1,12-13,17H2,2-7H3;7-9,12-14,16,18,40H,1,10-11,15H2,2-6H3;7-11,14,16,18,40H,1,12-13,15H2,2-6H3/t20-;2*18-/m000/s1.

What are the key properties of 6-fluoro-7-(2-fluoro-6-hydroxy-3-methylsulfanylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(2-fluoro-6-hydroxy-4-methylsulfanylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;4-[6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-2-oxopyrido[2,3-d]pyrimidin-1-yl]-N,N,3-trimethyl-5-propan-2-ylbenzamide?

6-fluoro-7-(2-fluoro-6-hydroxy-3-methylsulfanylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(2-fluoro-6-hydroxy-4-methylsulfanylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;4-[6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-2-oxopyrido[2,3-d]pyrimidin-1-yl]-N,N,3-trimethyl-5-propan-2-ylbenzamide has a molecular weight of 1844.09 g/mol, XLogP of 15.19, 18 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-7-(2-fluoro-6-hydroxy-3-methylsulfanylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-fluoro-7-(2-fluoro-6-hydroxy-4-methylsulfanylphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;4-[6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-2-oxopyrido[2,3-d]pyrimidin-1-yl]-N,N,3-trimethyl-5-propan-2-ylbenzamide is sourced from PubChem (CID 165056835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).