8-hydroxy-4-methyl-5-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one;4-methyl-8-phenylmethoxy-5-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one

C39H34F6N10O6 — CID 161338107

IUPAC8-hydroxy-4-methyl-5-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one;4-methyl-8-phenylmethoxy-5-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one
SMILESCc1ncnc2c1c(NCc1cccnc1OCC(F)(F)F)cc(=O)n2O.Cc1ncnc2c1c(NCc1cccnc1OCC(F)(F)F)cc(=O)n2OCc1ccccc1
InChIInChI=1S/C23H20F3N5O3.C16H14F3N5O3/c1-15-20-18(28-11-17-8-5-9-27-22(17)33-13-23(24,25)26)10-19(32)31(21(20)30-14-29-15)34-12-16-6-3-2-4-7-16;1-9-13-11(5-12(25)24(26)14(13)23-8-22-9)21-6-10-3-2-4-20-15(10)27-7-16(17,18)19/h2-10,14,28H,11-13H2,1H3;2-5,8,21,26H,6-7H2,1H3
InChIKeyVMHOMPSGZLOPHG-UHFFFAOYSA-N
MW852.75 g/mol
LogP5.96
Rot. Bonds13

About 8-hydroxy-4-methyl-5-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one;4-methyl-8-phenylmethoxy-5-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one

8-hydroxy-4-methyl-5-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one;4-methyl-8-phenylmethoxy-5-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 161338107) has the molecular formula C39H34F6N10O6 and a molecular weight of 852.75 g/mol. Its IUPAC name is 8-hydroxy-4-methyl-5-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one;4-methyl-8-phenylmethoxy-5-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-hydroxy-4-methyl-5-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one;4-methyl-8-phenylmethoxy-5-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID161338107
Molecular FormulaC39H34F6N10O6
Molecular Weight852.75 g/mol
Exact Mass852.26
IUPAC Name8-hydroxy-4-methyl-5-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one;4-methyl-8-phenylmethoxy-5-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one
SMILESCc1ncnc2c1c(NCc1cccnc1OCC(F)(F)F)cc(=O)n2O.Cc1ncnc2c1c(NCc1cccnc1OCC(F)(F)F)cc(=O)n2OCc1ccccc1
InChIInChI=1S/C23H20F3N5O3.C16H14F3N5O3/c1-15-20-18(28-11-17-8-5-9-27-22(17)33-13-23(24,25)26)10-19(32)31(21(20)30-14-29-15)34-12-16-6-3-2-4-7-16;1-9-13-11(5-12(25)24(26)14(13)23-8-22-9)21-6-10-3-2-4-20-15(10)27-7-16(17,18)19/h2-10,14,28H,11-13H2,1H3;2-5,8,21,26H,6-7H2,1H3
InChIKeyVMHOMPSGZLOPHG-UHFFFAOYSA-N
XLogP5.96
TPSA193.32 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500852.75
LogP ≤ 55.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 8-hydroxy-4-methyl-5-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one;4-methyl-8-phenylmethoxy-5-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

8-Butoxy-4-methyl-5-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one
CID 89736847
8-Butoxy-4-methyl-7-oxo-5-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidine-6-carboxylic acid
CID 89736945
N-(2,6-difluorophenyl)-4-[2-methyl-5-[2-(piperidin-4-ylamino)-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrimidin-4-yl]piperidine-1-carboxamide
CID 90100286
8-(benzyloxy)-4-methyl-5-(((6-(2,2,2-trifluoroethoxy)pyridin-3-yl)methyl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one
CID 117725580
8-(benzyloxy)-4-methyl-5-(((2-(2,2,2-trifluoroethoxy)pyridin-3-yl)methyl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one
CID 117725621
8-hydroxy-4-methyl-5-(((6-(2,2,2-trifluoroethoxy)pyridin-3-yl)methyl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one
CID 117725678
8-hydroxy-4-methyl-5-(((2-(2,2,2-trifluoroethoxy)pyridin-3-yl)methyl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one
CID 117725787
N-(2,6-difluorophenyl)-4-[5-[(Z)-N-hydroxy-C-[[6-(trifluoromethyl)pyridin-2-yl]oxymethyl]carbonimidoyl]-2-methylpyrimidin-4-yl]piperidine-1-carboxamide
CID 118378092
N-(2,6-difluorophenyl)-4-[5-[(E)-N-hydroxy-C-[[6-(trifluoromethyl)pyridin-2-yl]oxymethyl]carbonimidoyl]-2-methylpyrimidin-4-yl]piperidine-1-carboxamide
CID 118378093
4-[5-[1-[(1-acetylpiperidin-4-yl)amino]-2-[6-(trifluoromethyl)pyridin-2-yl]oxyethyl]-2-methylpyrimidin-4-yl]-N-(2,6-difluorophenyl)piperidine-1-carboxamide
CID 118378095
Ethyl 4-methyl-7-oxo-8-phenylmethoxy-5-[[2-(2,2,2-trifluoroethoxy)pyridin-3-yl]methylamino]pyrido[2,3-d]pyrimidine-6-carboxylate
CID 123229403
Ethyl 4-methyl-7-oxo-8-phenylmethoxy-5-[[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]methylamino]pyrido[2,3-d]pyrimidine-6-carboxylate
CID 123702504

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-4-methyl-5-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one;4-methyl-8-phenylmethoxy-5-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-hydroxy-4-methyl-5-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one;4-methyl-8-phenylmethoxy-5-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one (CID 161338107) is 8-hydroxy-4-methyl-5-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one;4-methyl-8-phenylmethoxy-5-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-hydroxy-4-methyl-5-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one;4-methyl-8-phenylmethoxy-5-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-hydroxy-4-methyl-5-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one;4-methyl-8-phenylmethoxy-5-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one is Cc1ncnc2c1c(NCc1cccnc1OCC(F)(F)F)cc(=O)n2O.Cc1ncnc2c1c(NCc1cccnc1OCC(F)(F)F)cc(=O)n2OCc1ccccc1.
What is the InChIKey of 8-hydroxy-4-methyl-5-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one;4-methyl-8-phenylmethoxy-5-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is VMHOMPSGZLOPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O3.C16H14F3N5O3/c1-15-20-18(28-11-17-8-5-9-27-22(17)33-13-23(24,25)26)10-19(32)31(21(20)30-14-29-15)34-12-16-6-3-2-4-7-16;1-9-13-11(5-12(25)24(26)14(13)23-8-22-9)21-6-10-3-2-4-20-15(10)27-7-16(17,18)19/h2-10,14,28H,11-13H2,1H3;2-5,8,21,26H,6-7H2,1H3.
What are the key properties of 8-hydroxy-4-methyl-5-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one;4-methyl-8-phenylmethoxy-5-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one?
8-hydroxy-4-methyl-5-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one;4-methyl-8-phenylmethoxy-5-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 852.75 g/mol, XLogP of 5.96, 13 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-4-methyl-5-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one;4-methyl-8-phenylmethoxy-5-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 161338107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).