7-(2,2-difluoroethoxy)-3-[2-(2,2-difluoroethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(2-propan-2-ylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-3-[2-(2,2,2-trifluoroethyl)indazol-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(4-fluorophenyl)-1-(4-methoxyphenyl)-4H-pyrido[2,3-d]pyrimidin-2-one

C98H86F12N18O12 — CID 164959964

IUPAC7-(2,2-difluoroethoxy)-3-[2-(2,2-difluoroethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(2-propan-2-ylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-3-[2-(2,2,2-trifluoroethyl)indazol-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(4-fluorophenyl)-1-(4-methoxyphenyl)-4H-pyrido[2,3-d]pyrimidin-2-one
SMILESCCOc1ccc2c(n1)N(c1ccc(OC)cc1)C(=O)N(c1ccc(F)cc1)C2.[2H]C([2H])([2H])Oc1ccc(N2C(=O)N(c3ccc4nn(C(C)C)cc4c3)Cc3ccc(OCC(F)F)nc32)cc1.[2H]C([2H])([2H])Oc1ccc(N2C(=O)N(c3ccc4nn(CC(F)(F)F)cc4c3)Cc3ccc(OCC(F)F)nc32)cc1.[2H]C([2H])([2H])Oc1ccc(N2C(=O)N(c3ccc4nn(CC(F)F)cc4c3)Cc3ccc(OCC(F)F)nc32)cc1
InChIInChI=1S/C26H25F2N5O3.C25H20F5N5O3.C25H21F4N5O3.C22H20FN3O3/c1-16(2)32-14-18-12-20(7-10-22(18)30-32)31-13-17-4-11-24(36-15-23(27)28)29-25(17)33(26(31)34)19-5-8-21(35-3)9-6-19;1-37-19-6-3-17(4-7-19)35-23-15(2-9-22(31-23)38-13-21(26)27)12-34(24(35)36)18-5-8-20-16(10-18)11-33(32-20)14-25(28,29)30;1-36-19-6-3-17(4-7-19)34-24-15(2-9-23(30-24)37-14-22(28)29)12-33(25(34)35)18-5-8-20-16(10-18)11-32(31-20)13-21(26)27;1-3-29-20-13-4-15-14-25(17-7-5-16(23)6-8-17)22(27)26(21(15)24-20)18-9-11-19(28-2)12-10-18/h4-12,14,16,23H,13,15H2,1-3H3;2-11,21H,12-14H2,1H3;2-11,21-22H,12-14H2,1H3;4-13H,3,14H2,1-2H3/i3D3;2*1D3;
InChIKeyBRYSLKPUYHTLNE-NWOZDCIMSA-N
MW1944.91 g/mol
LogP22.40
Rot. Bonds30

About 7-(2,2-difluoroethoxy)-3-[2-(2,2-difluoroethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(2-propan-2-ylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-3-[2-(2,2,2-trifluoroethyl)indazol-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(4-fluorophenyl)-1-(4-methoxyphenyl)-4H-pyrido[2,3-d]pyrimidin-2-one

7-(2,2-difluoroethoxy)-3-[2-(2,2-difluoroethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(2-propan-2-ylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-3-[2-(2,2,2-trifluoroethyl)indazol-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(4-fluorophenyl)-1-(4-methoxyphenyl)-4H-pyrido[2,3-d]pyrimidin-2-one (PubChem CID 164959964) has the molecular formula C98H86F12N18O12 and a molecular weight of 1944.91 g/mol. Its IUPAC name is 7-(2,2-difluoroethoxy)-3-[2-(2,2-difluoroethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(2-propan-2-ylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-3-[2-(2,2,2-trifluoroethyl)indazol-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(4-fluorophenyl)-1-(4-methoxyphenyl)-4H-pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name7-(2,2-difluoroethoxy)-3-[2-(2,2-difluoroethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(2-propan-2-ylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-3-[2-(2,2,2-trifluoroethyl)indazol-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(4-fluorophenyl)-1-(4-methoxyphenyl)-4H-pyrido[2,3-d]pyrimidin-2-one
PubChem CID164959964
Molecular FormulaC98H86F12N18O12
Molecular Weight1944.91 g/mol
Exact Mass1943.70
IUPAC Name7-(2,2-difluoroethoxy)-3-[2-(2,2-difluoroethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(2-propan-2-ylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-3-[2-(2,2,2-trifluoroethyl)indazol-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(4-fluorophenyl)-1-(4-methoxyphenyl)-4H-pyrido[2,3-d]pyrimidin-2-one
SMILESCCOc1ccc2c(n1)N(c1ccc(OC)cc1)C(=O)N(c1ccc(F)cc1)C2.[2H]C([2H])([2H])Oc1ccc(N2C(=O)N(c3ccc4nn(C(C)C)cc4c3)Cc3ccc(OCC(F)F)nc32)cc1.[2H]C([2H])([2H])Oc1ccc(N2C(=O)N(c3ccc4nn(CC(F)(F)F)cc4c3)Cc3ccc(OCC(F)F)nc32)cc1.[2H]C([2H])([2H])Oc1ccc(N2C(=O)N(c3ccc4nn(CC(F)F)cc4c3)Cc3ccc(OCC(F)F)nc32)cc1
InChIInChI=1S/C26H25F2N5O3.C25H20F5N5O3.C25H21F4N5O3.C22H20FN3O3/c1-16(2)32-14-18-12-20(7-10-22(18)30-32)31-13-17-4-11-24(36-15-23(27)28)29-25(17)33(26(31)34)19-5-8-21(35-3)9-6-19;1-37-19-6-3-17(4-7-19)35-23-15(2-9-22(31-23)38-13-21(26)27)12-34(24(35)36)18-5-8-20-16(10-18)11-33(32-20)14-25(28,29)30;1-36-19-6-3-17(4-7-19)34-24-15(2-9-23(30-24)37-14-22(28)29)12-33(25(34)35)18-5-8-20-16(10-18)11-32(31-20)13-21(26)27;1-3-29-20-13-4-15-14-25(17-7-5-16(23)6-8-17)22(27)26(21(15)24-20)18-9-11-19(28-2)12-10-18/h4-12,14,16,23H,13,15H2,1-3H3;2-11,21H,12-14H2,1H3;2-11,21-22H,12-14H2,1H3;4-13H,3,14H2,1-2H3/i3D3;2*1D3;
InChIKeyBRYSLKPUYHTLNE-NWOZDCIMSA-N
XLogP22.40
TPSA273.06 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds30
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001944.91
LogP ≤ 522.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 7-(2,2-difluoroethoxy)-3-[2-(2,2-difluoroethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(2-propan-2-ylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-3-[2-(2,2,2-trifluoroethyl)indazol-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(4-fluorophenyl)-1-(4-methoxyphenyl)-4H-pyrido[2,3-d]pyrimidin-2-one with MolForge

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Related Compounds

7-(2,2-difluoroethoxy)-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrimido[4,5-d]pyrimidin-2-one
CID 168272798
7-(2,2-difluoroethoxy)-1-(1H-indol-5-yl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one
CID 153629706
CID 153629714
CID 153629714
7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-6-fluoro-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one
CID 153629730
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[4,3-d]pyrimidin-2-one
CID 153629738
7-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one
CID 153629747
CID 153629757
CID 153629757
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one
CID 153629759
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-pyrazolo[1,5-a]pyridin-5-yl-4H-pyrido[2,3-d]pyrimidin-2-one
CID 153629764
7-(2,2-difluoroethoxy)-1-(1H-indazol-5-yl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one
CID 153629773
1-[6-(difluoromethyl)-3-pyridinyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one
CID 153629781
7-(2,2-difluoroethoxy)-1-(4-methoxycyclohexyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one
CID 153629788

Frequently Asked Questions

What is the IUPAC name of 7-(2,2-difluoroethoxy)-3-[2-(2,2-difluoroethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(2-propan-2-ylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-3-[2-(2,2,2-trifluoroethyl)indazol-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(4-fluorophenyl)-1-(4-methoxyphenyl)-4H-pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 7-(2,2-difluoroethoxy)-3-[2-(2,2-difluoroethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(2-propan-2-ylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-3-[2-(2,2,2-trifluoroethyl)indazol-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(4-fluorophenyl)-1-(4-methoxyphenyl)-4H-pyrido[2,3-d]pyrimidin-2-one (CID 164959964) is 7-(2,2-difluoroethoxy)-3-[2-(2,2-difluoroethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(2-propan-2-ylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-3-[2-(2,2,2-trifluoroethyl)indazol-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(4-fluorophenyl)-1-(4-methoxyphenyl)-4H-pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 7-(2,2-difluoroethoxy)-3-[2-(2,2-difluoroethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(2-propan-2-ylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-3-[2-(2,2,2-trifluoroethyl)indazol-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(4-fluorophenyl)-1-(4-methoxyphenyl)-4H-pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 7-(2,2-difluoroethoxy)-3-[2-(2,2-difluoroethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(2-propan-2-ylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-3-[2-(2,2,2-trifluoroethyl)indazol-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(4-fluorophenyl)-1-(4-methoxyphenyl)-4H-pyrido[2,3-d]pyrimidin-2-one is CCOc1ccc2c(n1)N(c1ccc(OC)cc1)C(=O)N(c1ccc(F)cc1)C2.[2H]C([2H])([2H])Oc1ccc(N2C(=O)N(c3ccc4nn(C(C)C)cc4c3)Cc3ccc(OCC(F)F)nc32)cc1.[2H]C([2H])([2H])Oc1ccc(N2C(=O)N(c3ccc4nn(CC(F)(F)F)cc4c3)Cc3ccc(OCC(F)F)nc32)cc1.[2H]C([2H])([2H])Oc1ccc(N2C(=O)N(c3ccc4nn(CC(F)F)cc4c3)Cc3ccc(OCC(F)F)nc32)cc1.
What is the InChIKey of 7-(2,2-difluoroethoxy)-3-[2-(2,2-difluoroethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(2-propan-2-ylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-3-[2-(2,2,2-trifluoroethyl)indazol-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(4-fluorophenyl)-1-(4-methoxyphenyl)-4H-pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is BRYSLKPUYHTLNE-NWOZDCIMSA-N. The full InChI is InChI=1S/C26H25F2N5O3.C25H20F5N5O3.C25H21F4N5O3.C22H20FN3O3/c1-16(2)32-14-18-12-20(7-10-22(18)30-32)31-13-17-4-11-24(36-15-23(27)28)29-25(17)33(26(31)34)19-5-8-21(35-3)9-6-19;1-37-19-6-3-17(4-7-19)35-23-15(2-9-22(31-23)38-13-21(26)27)12-34(24(35)36)18-5-8-20-16(10-18)11-33(32-20)14-25(28,29)30;1-36-19-6-3-17(4-7-19)34-24-15(2-9-23(30-24)37-14-22(28)29)12-33(25(34)35)18-5-8-20-16(10-18)11-32(31-20)13-21(26)27;1-3-29-20-13-4-15-14-25(17-7-5-16(23)6-8-17)22(27)26(21(15)24-20)18-9-11-19(28-2)12-10-18/h4-12,14,16,23H,13,15H2,1-3H3;2-11,21H,12-14H2,1H3;2-11,21-22H,12-14H2,1H3;4-13H,3,14H2,1-2H3/i3D3;2*1D3;.
What are the key properties of 7-(2,2-difluoroethoxy)-3-[2-(2,2-difluoroethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(2-propan-2-ylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-3-[2-(2,2,2-trifluoroethyl)indazol-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(4-fluorophenyl)-1-(4-methoxyphenyl)-4H-pyrido[2,3-d]pyrimidin-2-one?
7-(2,2-difluoroethoxy)-3-[2-(2,2-difluoroethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(2-propan-2-ylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-3-[2-(2,2,2-trifluoroethyl)indazol-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(4-fluorophenyl)-1-(4-methoxyphenyl)-4H-pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 1944.91 g/mol, XLogP of 22.40, 30 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-difluoroethoxy)-3-[2-(2,2-difluoroethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-3-(2-propan-2-ylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-3-[2-(2,2,2-trifluoroethyl)indazol-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-ethoxy-3-(4-fluorophenyl)-1-(4-methoxyphenyl)-4H-pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 164959964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).