3-methoxy-6-(1-methyl-5-thiophen-2-ylpyrazole-3-carbonyl)-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one

C26H25F3N6O3S — CID 66686131

IUPAC3-methoxy-6-(1-methyl-5-thiophen-2-ylpyrazole-3-carbonyl)-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
SMILESCOn1c(NC(C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1cc(-c3cccs3)n(C)n1)CC2
InChIInChI=1S/C26H25F3N6O3S/c1-15(16-6-8-17(9-7-16)26(27,28)29)30-25-31-19-10-11-34(14-18(19)23(36)35(25)38-3)24(37)20-13-21(33(2)32-20)22-5-4-12-39-22/h4-9,12-13,15H,10-11,14H2,1-3H3,(H,30,31)
InChIKeyFUIRXOGPVHEATL-UHFFFAOYSA-N
MW558.59 g/mol
LogP4.15
Rot. Bonds6

About 3-methoxy-6-(1-methyl-5-thiophen-2-ylpyrazole-3-carbonyl)-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one

3-methoxy-6-(1-methyl-5-thiophen-2-ylpyrazole-3-carbonyl)-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66686131) has the molecular formula C26H25F3N6O3S and a molecular weight of 558.59 g/mol. Its IUPAC name is 3-methoxy-6-(1-methyl-5-thiophen-2-ylpyrazole-3-carbonyl)-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methoxy-6-(1-methyl-5-thiophen-2-ylpyrazole-3-carbonyl)-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
PubChem CID66686131
Molecular FormulaC26H25F3N6O3S
Molecular Weight558.59 g/mol
Exact Mass558.17
IUPAC Name3-methoxy-6-(1-methyl-5-thiophen-2-ylpyrazole-3-carbonyl)-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
SMILESCOn1c(NC(C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1cc(-c3cccs3)n(C)n1)CC2
InChIInChI=1S/C26H25F3N6O3S/c1-15(16-6-8-17(9-7-16)26(27,28)29)30-25-31-19-10-11-34(14-18(19)23(36)35(25)38-3)24(37)20-13-21(33(2)32-20)22-5-4-12-39-22/h4-9,12-13,15H,10-11,14H2,1-3H3,(H,30,31)
InChIKeyFUIRXOGPVHEATL-UHFFFAOYSA-N
XLogP4.15
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.59
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-methoxy-6-(1-methyl-5-thiophen-2-ylpyrazole-3-carbonyl)-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-(1-methyl-5-thiophen-2-ylpyrazole-3-carbonyl)-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 3-methoxy-6-(1-methyl-5-thiophen-2-ylpyrazole-3-carbonyl)-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one (CID 66686131) is 3-methoxy-6-(1-methyl-5-thiophen-2-ylpyrazole-3-carbonyl)-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-methoxy-6-(1-methyl-5-thiophen-2-ylpyrazole-3-carbonyl)-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 3-methoxy-6-(1-methyl-5-thiophen-2-ylpyrazole-3-carbonyl)-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one is COn1c(NC(C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1cc(-c3cccs3)n(C)n1)CC2.
What is the InChIKey of 3-methoxy-6-(1-methyl-5-thiophen-2-ylpyrazole-3-carbonyl)-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is FUIRXOGPVHEATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N6O3S/c1-15(16-6-8-17(9-7-16)26(27,28)29)30-25-31-19-10-11-34(14-18(19)23(36)35(25)38-3)24(37)20-13-21(33(2)32-20)22-5-4-12-39-22/h4-9,12-13,15H,10-11,14H2,1-3H3,(H,30,31).
What are the key properties of 3-methoxy-6-(1-methyl-5-thiophen-2-ylpyrazole-3-carbonyl)-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
3-methoxy-6-(1-methyl-5-thiophen-2-ylpyrazole-3-carbonyl)-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 558.59 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-(1-methyl-5-thiophen-2-ylpyrazole-3-carbonyl)-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66686131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).