7-(2,2-difluoroethoxy)-3-[2-(2-methoxyethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-3-[2-(3,3,3-trifluoropropyl)indazol-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one;4-[7-ethoxy-1-(4-methoxyphenyl)-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]-N-methylbenzamide;7-ethoxy-1-(4-methoxyphenyl)-3-(1,3-thiazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one

C95H89F7N18O14S — CID 165084652

IUPAC7-(2,2-difluoroethoxy)-3-[2-(2-methoxyethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-3-[2-(3,3,3-trifluoropropyl)indazol-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one;4-[7-ethoxy-1-(4-methoxyphenyl)-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]-N-methylbenzamide;7-ethoxy-1-(4-methoxyphenyl)-3-(1,3-thiazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one
SMILESCCOc1ccc2c(n1)N(c1ccc(OC)cc1)C(=O)N(c1ccc(C(=O)NC)cc1)C2.CCOc1ccc2c(n1)N(c1ccc(OC)cc1)C(=O)N(c1cncs1)C2.[2H]C([2H])([2H])Oc1ccc(N2C(=O)N(c3ccc4nn(CCC(F)(F)F)cc4c3)Cc3ccc(OCC(F)F)nc32)cc1.[2H]C([2H])([2H])Oc1ccc(N2C(=O)N(c3ccc4nn(CCOC)cc4c3)Cc3ccc(OCC(F)F)nc32)cc1
InChIInChI=1S/C26H22F5N5O3.C26H25F2N5O4.C24H24N4O4.C19H18N4O3S/c1-38-20-6-3-18(4-7-20)36-24-16(2-9-23(32-24)39-15-22(27)28)14-35(25(36)37)19-5-8-21-17(12-19)13-34(33-21)11-10-26(29,30)31;1-35-12-11-31-14-18-13-20(6-9-22(18)30-31)32-15-17-3-10-24(37-16-23(27)28)29-25(17)33(26(32)34)19-4-7-21(36-2)8-5-19;1-4-32-21-14-7-17-15-27(18-8-5-16(6-9-18)23(29)25-2)24(30)28(22(17)26-21)19-10-12-20(31-3)13-11-19;1-3-26-16-9-4-13-11-22(17-10-20-12-27-17)19(24)23(18(13)21-16)14-5-7-15(25-2)8-6-14/h2-9,12-13,22H,10-11,14-15H2,1H3;3-10,13-14,23H,11-12,15-16H2,1-2H3;5-14H,4,15H2,1-3H3,(H,25,29);4-10,12H,3,11H2,1-2H3/i1D3;2D3;;
InChIKeyVRNBUKGHVVWKQV-YUOLXCKPSA-N
MW1877.96 g/mol
LogP19.67
Rot. Bonds30

About 7-(2,2-difluoroethoxy)-3-[2-(2-methoxyethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-3-[2-(3,3,3-trifluoropropyl)indazol-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one;4-[7-ethoxy-1-(4-methoxyphenyl)-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]-N-methylbenzamide;7-ethoxy-1-(4-methoxyphenyl)-3-(1,3-thiazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one

7-(2,2-difluoroethoxy)-3-[2-(2-methoxyethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-3-[2-(3,3,3-trifluoropropyl)indazol-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one;4-[7-ethoxy-1-(4-methoxyphenyl)-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]-N-methylbenzamide;7-ethoxy-1-(4-methoxyphenyl)-3-(1,3-thiazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one (PubChem CID 165084652) has the molecular formula C95H89F7N18O14S and a molecular weight of 1877.96 g/mol. Its IUPAC name is 7-(2,2-difluoroethoxy)-3-[2-(2-methoxyethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-3-[2-(3,3,3-trifluoropropyl)indazol-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one;4-[7-ethoxy-1-(4-methoxyphenyl)-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]-N-methylbenzamide;7-ethoxy-1-(4-methoxyphenyl)-3-(1,3-thiazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name7-(2,2-difluoroethoxy)-3-[2-(2-methoxyethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-3-[2-(3,3,3-trifluoropropyl)indazol-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one;4-[7-ethoxy-1-(4-methoxyphenyl)-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]-N-methylbenzamide;7-ethoxy-1-(4-methoxyphenyl)-3-(1,3-thiazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one
PubChem CID165084652
Molecular FormulaC95H89F7N18O14S
Molecular Weight1877.96 g/mol
Exact Mass1876.68
IUPAC Name7-(2,2-difluoroethoxy)-3-[2-(2-methoxyethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-3-[2-(3,3,3-trifluoropropyl)indazol-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one;4-[7-ethoxy-1-(4-methoxyphenyl)-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]-N-methylbenzamide;7-ethoxy-1-(4-methoxyphenyl)-3-(1,3-thiazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one
SMILESCCOc1ccc2c(n1)N(c1ccc(OC)cc1)C(=O)N(c1ccc(C(=O)NC)cc1)C2.CCOc1ccc2c(n1)N(c1ccc(OC)cc1)C(=O)N(c1cncs1)C2.[2H]C([2H])([2H])Oc1ccc(N2C(=O)N(c3ccc4nn(CCC(F)(F)F)cc4c3)Cc3ccc(OCC(F)F)nc32)cc1.[2H]C([2H])([2H])Oc1ccc(N2C(=O)N(c3ccc4nn(CCOC)cc4c3)Cc3ccc(OCC(F)F)nc32)cc1
InChIInChI=1S/C26H22F5N5O3.C26H25F2N5O4.C24H24N4O4.C19H18N4O3S/c1-38-20-6-3-18(4-7-20)36-24-16(2-9-23(32-24)39-15-22(27)28)14-35(25(36)37)19-5-8-21-17(12-19)13-34(33-21)11-10-26(29,30)31;1-35-12-11-31-14-18-13-20(6-9-22(18)30-31)32-15-17-3-10-24(37-16-23(27)28)29-25(17)33(26(32)34)19-4-7-21(36-2)8-5-19;1-4-32-21-14-7-17-15-27(18-8-5-16(6-9-18)23(29)25-2)24(30)28(22(17)26-21)19-10-12-20(31-3)13-11-19;1-3-26-16-9-4-13-11-22(17-10-20-12-27-17)19(24)23(18(13)21-16)14-5-7-15(25-2)8-6-14/h2-9,12-13,22H,10-11,14-15H2,1H3;3-10,13-14,23H,11-12,15-16H2,1-2H3;5-14H,4,15H2,1-3H3,(H,25,29);4-10,12H,3,11H2,1-2H3/i1D3;2D3;;
InChIKeyVRNBUKGHVVWKQV-YUOLXCKPSA-N
XLogP19.67
TPSA306.46 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds30
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001877.96
LogP ≤ 519.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Analyze 7-(2,2-difluoroethoxy)-3-[2-(2-methoxyethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-3-[2-(3,3,3-trifluoropropyl)indazol-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one;4-[7-ethoxy-1-(4-methoxyphenyl)-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]-N-methylbenzamide;7-ethoxy-1-(4-methoxyphenyl)-3-(1,3-thiazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(2,2-difluoroethoxy)-3-[2-(2-methoxyethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-3-[2-(3,3,3-trifluoropropyl)indazol-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one;4-[7-ethoxy-1-(4-methoxyphenyl)-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]-N-methylbenzamide;7-ethoxy-1-(4-methoxyphenyl)-3-(1,3-thiazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 7-(2,2-difluoroethoxy)-3-[2-(2-methoxyethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-3-[2-(3,3,3-trifluoropropyl)indazol-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one;4-[7-ethoxy-1-(4-methoxyphenyl)-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]-N-methylbenzamide;7-ethoxy-1-(4-methoxyphenyl)-3-(1,3-thiazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one (CID 165084652) is 7-(2,2-difluoroethoxy)-3-[2-(2-methoxyethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-3-[2-(3,3,3-trifluoropropyl)indazol-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one;4-[7-ethoxy-1-(4-methoxyphenyl)-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]-N-methylbenzamide;7-ethoxy-1-(4-methoxyphenyl)-3-(1,3-thiazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 7-(2,2-difluoroethoxy)-3-[2-(2-methoxyethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-3-[2-(3,3,3-trifluoropropyl)indazol-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one;4-[7-ethoxy-1-(4-methoxyphenyl)-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]-N-methylbenzamide;7-ethoxy-1-(4-methoxyphenyl)-3-(1,3-thiazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 7-(2,2-difluoroethoxy)-3-[2-(2-methoxyethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-3-[2-(3,3,3-trifluoropropyl)indazol-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one;4-[7-ethoxy-1-(4-methoxyphenyl)-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]-N-methylbenzamide;7-ethoxy-1-(4-methoxyphenyl)-3-(1,3-thiazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one is CCOc1ccc2c(n1)N(c1ccc(OC)cc1)C(=O)N(c1ccc(C(=O)NC)cc1)C2.CCOc1ccc2c(n1)N(c1ccc(OC)cc1)C(=O)N(c1cncs1)C2.[2H]C([2H])([2H])Oc1ccc(N2C(=O)N(c3ccc4nn(CCC(F)(F)F)cc4c3)Cc3ccc(OCC(F)F)nc32)cc1.[2H]C([2H])([2H])Oc1ccc(N2C(=O)N(c3ccc4nn(CCOC)cc4c3)Cc3ccc(OCC(F)F)nc32)cc1.
What is the InChIKey of 7-(2,2-difluoroethoxy)-3-[2-(2-methoxyethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-3-[2-(3,3,3-trifluoropropyl)indazol-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one;4-[7-ethoxy-1-(4-methoxyphenyl)-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]-N-methylbenzamide;7-ethoxy-1-(4-methoxyphenyl)-3-(1,3-thiazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is VRNBUKGHVVWKQV-YUOLXCKPSA-N. The full InChI is InChI=1S/C26H22F5N5O3.C26H25F2N5O4.C24H24N4O4.C19H18N4O3S/c1-38-20-6-3-18(4-7-20)36-24-16(2-9-23(32-24)39-15-22(27)28)14-35(25(36)37)19-5-8-21-17(12-19)13-34(33-21)11-10-26(29,30)31;1-35-12-11-31-14-18-13-20(6-9-22(18)30-31)32-15-17-3-10-24(37-16-23(27)28)29-25(17)33(26(32)34)19-4-7-21(36-2)8-5-19;1-4-32-21-14-7-17-15-27(18-8-5-16(6-9-18)23(29)25-2)24(30)28(22(17)26-21)19-10-12-20(31-3)13-11-19;1-3-26-16-9-4-13-11-22(17-10-20-12-27-17)19(24)23(18(13)21-16)14-5-7-15(25-2)8-6-14/h2-9,12-13,22H,10-11,14-15H2,1H3;3-10,13-14,23H,11-12,15-16H2,1-2H3;5-14H,4,15H2,1-3H3,(H,25,29);4-10,12H,3,11H2,1-2H3/i1D3;2D3;;.
What are the key properties of 7-(2,2-difluoroethoxy)-3-[2-(2-methoxyethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-3-[2-(3,3,3-trifluoropropyl)indazol-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one;4-[7-ethoxy-1-(4-methoxyphenyl)-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]-N-methylbenzamide;7-ethoxy-1-(4-methoxyphenyl)-3-(1,3-thiazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one?
7-(2,2-difluoroethoxy)-3-[2-(2-methoxyethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-3-[2-(3,3,3-trifluoropropyl)indazol-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one;4-[7-ethoxy-1-(4-methoxyphenyl)-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]-N-methylbenzamide;7-ethoxy-1-(4-methoxyphenyl)-3-(1,3-thiazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 1877.96 g/mol, XLogP of 19.67, 30 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-difluoroethoxy)-3-[2-(2-methoxyethyl)indazol-5-yl]-1-[4-(trideuteriomethoxy)phenyl]-4H-pyrido[2,3-d]pyrimidin-2-one;7-(2,2-difluoroethoxy)-1-[4-(trideuteriomethoxy)phenyl]-3-[2-(3,3,3-trifluoropropyl)indazol-5-yl]-4H-pyrido[2,3-d]pyrimidin-2-one;4-[7-ethoxy-1-(4-methoxyphenyl)-2-oxo-4H-pyrido[2,3-d]pyrimidin-3-yl]-N-methylbenzamide;7-ethoxy-1-(4-methoxyphenyl)-3-(1,3-thiazol-5-yl)-4H-pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 165084652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).