7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-6-fluoro-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-5-methyl-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-4H-pteridin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pteridin-2-one

C94H81F11N20O13 — CID 164954151

IUPAC7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-6-fluoro-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-5-methyl-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-4H-pteridin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pteridin-2-one
SMILESCCOc1cnc2c(n1)N(c1ccc(OC(F)F)cc1)C(=O)N(c1ccc(OC)cc1)C2.CCOc1cnc2c(n1)N(c1ccc(OC(F)F)cc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.Cn1cc2cc(N3Cc4cc(F)c(OCC(F)F)nc4N(c4ccc(OC(F)F)cc4)C3=O)ccc2n1.[2H]C([2H])([2H])Oc1ccc(N2C(=O)N(c3ccc4nn(C)cc4c3)Cc3c(C)cc(OCC(F)F)nc32)cc1
InChIInChI=1S/C25H23F2N5O3.C24H18F5N5O3.C23H20F2N6O3.C22H20F2N4O4/c1-15-10-23(35-14-22(26)27)28-24-20(15)13-31(18-6-9-21-16(11-18)12-30(2)29-21)25(33)32(24)17-4-7-19(34-3)8-5-17;1-32-10-13-8-16(4-7-19(13)31-32)33-11-14-9-18(25)22(36-12-20(26)27)30-21(14)34(24(33)35)15-2-5-17(6-3-15)37-23(28)29;1-3-33-20-11-26-19-13-30(16-6-9-18-14(10-16)12-29(2)28-18)23(32)31(21(19)27-20)15-4-7-17(8-5-15)34-22(24)25;1-3-31-19-12-25-18-13-27(14-4-8-16(30-2)9-5-14)22(29)28(20(18)26-19)15-6-10-17(11-7-15)32-21(23)24/h4-12,22H,13-14H2,1-3H3;2-10,20,23H,11-12H2,1H3;4-12,22H,3,13H2,1-2H3;4-12,21H,3,13H2,1-2H3/i3D3;;;
InChIKeyAYDLEWVPLPSGIU-DXHMZEATSA-N
MW1910.81 g/mol
LogP20.24
Rot. Bonds27

About 7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-6-fluoro-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-5-methyl-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-4H-pteridin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pteridin-2-one

7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-6-fluoro-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-5-methyl-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-4H-pteridin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pteridin-2-one (PubChem CID 164954151) has the molecular formula C94H81F11N20O13 and a molecular weight of 1910.81 g/mol. Its IUPAC name is 7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-6-fluoro-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-5-methyl-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-4H-pteridin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pteridin-2-one.

Molecular Properties

Compound Name7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-6-fluoro-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-5-methyl-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-4H-pteridin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pteridin-2-one
PubChem CID164954151
Molecular FormulaC94H81F11N20O13
Molecular Weight1910.81 g/mol
Exact Mass1909.63
IUPAC Name7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-6-fluoro-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-5-methyl-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-4H-pteridin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pteridin-2-one
SMILESCCOc1cnc2c(n1)N(c1ccc(OC(F)F)cc1)C(=O)N(c1ccc(OC)cc1)C2.CCOc1cnc2c(n1)N(c1ccc(OC(F)F)cc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.Cn1cc2cc(N3Cc4cc(F)c(OCC(F)F)nc4N(c4ccc(OC(F)F)cc4)C3=O)ccc2n1.[2H]C([2H])([2H])Oc1ccc(N2C(=O)N(c3ccc4nn(C)cc4c3)Cc3c(C)cc(OCC(F)F)nc32)cc1
InChIInChI=1S/C25H23F2N5O3.C24H18F5N5O3.C23H20F2N6O3.C22H20F2N4O4/c1-15-10-23(35-14-22(26)27)28-24-20(15)13-31(18-6-9-21-16(11-18)12-30(2)29-21)25(33)32(24)17-4-7-19(34-3)8-5-17;1-32-10-13-8-16(4-7-19(13)31-32)33-11-14-9-18(25)22(36-12-20(26)27)30-21(14)34(24(33)35)15-2-5-17(6-3-15)37-23(28)29;1-3-33-20-11-26-19-13-30(16-6-9-18-14(10-16)12-29(2)28-18)23(32)31(21(19)27-20)15-4-7-17(8-5-15)34-22(24)25;1-3-31-19-12-25-18-13-27(14-4-8-16(30-2)9-5-14)22(29)28(20(18)26-19)15-6-10-17(11-7-15)32-21(23)24/h4-12,22H,13-14H2,1-3H3;2-10,20,23H,11-12H2,1H3;4-12,22H,3,13H2,1-2H3;4-12,21H,3,13H2,1-2H3/i3D3;;;
InChIKeyAYDLEWVPLPSGIU-DXHMZEATSA-N
XLogP20.24
TPSA308.07 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds27
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001910.81
LogP ≤ 520.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze 7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-6-fluoro-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-5-methyl-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-4H-pteridin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pteridin-2-one with MolForge

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Related Compounds

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
7-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one
CID 153629747
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one
CID 153629759
1-[6-(difluoromethyl)-3-pyridinyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one
CID 153629781
7-ethoxy-3-(2-methylindazol-5-yl)-1-[6-(trifluoromethoxy)-3-pyridinyl]-4H-pyrido[2,3-d]pyrimidin-2-one
CID 153629826
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[3,2-d]pyrimidin-2-one
CID 153629852
7-(2,2-difluoroethoxy)-1-imidazo[1,2-a]pyridin-6-yl-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one
CID 153629892
CID 153629941
CID 153629941
7-(2,2-difluoroethoxy)-1-(4-methoxyphenyl)-3-(2-methylindazol-5-yl)-4H-pteridin-2-one
CID 153629949
1-[6-(difluoromethoxy)-3-pyridinyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one
CID 153629967
CID 153629987
CID 153629987
7-ethoxy-3-(2-methylindazol-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]-4H-pyrido[2,3-d]pyrimidin-2-one
CID 153629989

Frequently Asked Questions

What is the IUPAC name of 7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-6-fluoro-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-5-methyl-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-4H-pteridin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pteridin-2-one?
The IUPAC name of 7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-6-fluoro-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-5-methyl-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-4H-pteridin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pteridin-2-one (CID 164954151) is 7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-6-fluoro-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-5-methyl-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-4H-pteridin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pteridin-2-one.
What is the SMILES notation for 7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-6-fluoro-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-5-methyl-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-4H-pteridin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pteridin-2-one?
The canonical SMILES for 7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-6-fluoro-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-5-methyl-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-4H-pteridin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pteridin-2-one is CCOc1cnc2c(n1)N(c1ccc(OC(F)F)cc1)C(=O)N(c1ccc(OC)cc1)C2.CCOc1cnc2c(n1)N(c1ccc(OC(F)F)cc1)C(=O)N(c1ccc3nn(C)cc3c1)C2.Cn1cc2cc(N3Cc4cc(F)c(OCC(F)F)nc4N(c4ccc(OC(F)F)cc4)C3=O)ccc2n1.[2H]C([2H])([2H])Oc1ccc(N2C(=O)N(c3ccc4nn(C)cc4c3)Cc3c(C)cc(OCC(F)F)nc32)cc1.
What is the InChIKey of 7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-6-fluoro-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-5-methyl-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-4H-pteridin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pteridin-2-one?
The InChIKey is AYDLEWVPLPSGIU-DXHMZEATSA-N. The full InChI is InChI=1S/C25H23F2N5O3.C24H18F5N5O3.C23H20F2N6O3.C22H20F2N4O4/c1-15-10-23(35-14-22(26)27)28-24-20(15)13-31(18-6-9-21-16(11-18)12-30(2)29-21)25(33)32(24)17-4-7-19(34-3)8-5-17;1-32-10-13-8-16(4-7-19(13)31-32)33-11-14-9-18(25)22(36-12-20(26)27)30-21(14)34(24(33)35)15-2-5-17(6-3-15)37-23(28)29;1-3-33-20-11-26-19-13-30(16-6-9-18-14(10-16)12-29(2)28-18)23(32)31(21(19)27-20)15-4-7-17(8-5-15)34-22(24)25;1-3-31-19-12-25-18-13-27(14-4-8-16(30-2)9-5-14)22(29)28(20(18)26-19)15-6-10-17(11-7-15)32-21(23)24/h4-12,22H,13-14H2,1-3H3;2-10,20,23H,11-12H2,1H3;4-12,22H,3,13H2,1-2H3;4-12,21H,3,13H2,1-2H3/i3D3;;;.
What are the key properties of 7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-6-fluoro-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-5-methyl-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-4H-pteridin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pteridin-2-one?
7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-6-fluoro-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-5-methyl-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-4H-pteridin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pteridin-2-one has a molecular weight of 1910.81 g/mol, XLogP of 20.24, 27 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-difluoroethoxy)-1-[4-(difluoromethoxy)phenyl]-6-fluoro-3-(2-methylindazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-5-methyl-3-(2-methylindazol-5-yl)-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-4H-pteridin-2-one;1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(2-methylindazol-5-yl)-4H-pteridin-2-one is sourced from PubChem (CID 164954151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).