3-methyl-7-(4-morpholin-4-ylphenyl)-5-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethoxy]pyrido[4,3-d]pyrimidin-4-one

C24H23F3N6O3 — CID 66959725

IUPAC3-methyl-7-(4-morpholin-4-ylphenyl)-5-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethoxy]pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(OCCc3cn[nH]c3C(F)(F)F)c2c1=O
InChIInChI=1S/C24H23F3N6O3/c1-32-14-28-19-12-18(15-2-4-17(5-3-15)33-7-10-35-11-8-33)30-22(20(19)23(32)34)36-9-6-16-13-29-31-21(16)24(25,26)27/h2-5,12-14H,6-11H2,1H3,(H,29,31)
InChIKeyAAVVVJIXVHOAIA-UHFFFAOYSA-N
MW500.48 g/mol
LogP3.20
Rot. Bonds6

About 3-methyl-7-(4-morpholin-4-ylphenyl)-5-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethoxy]pyrido[4,3-d]pyrimidin-4-one

3-methyl-7-(4-morpholin-4-ylphenyl)-5-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethoxy]pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959725) has the molecular formula C24H23F3N6O3 and a molecular weight of 500.48 g/mol. Its IUPAC name is 3-methyl-7-(4-morpholin-4-ylphenyl)-5-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethoxy]pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-7-(4-morpholin-4-ylphenyl)-5-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethoxy]pyrido[4,3-d]pyrimidin-4-one
PubChem CID66959725
Molecular FormulaC24H23F3N6O3
Molecular Weight500.48 g/mol
Exact Mass500.18
IUPAC Name3-methyl-7-(4-morpholin-4-ylphenyl)-5-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethoxy]pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(OCCc3cn[nH]c3C(F)(F)F)c2c1=O
InChIInChI=1S/C24H23F3N6O3/c1-32-14-28-19-12-18(15-2-4-17(5-3-15)33-7-10-35-11-8-33)30-22(20(19)23(32)34)36-9-6-16-13-29-31-21(16)24(25,26)27/h2-5,12-14H,6-11H2,1H3,(H,29,31)
InChIKeyAAVVVJIXVHOAIA-UHFFFAOYSA-N
XLogP3.20
TPSA98.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.48
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(4-morpholin-4-ylphenyl)-5-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethoxy]pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-7-(4-morpholin-4-ylphenyl)-5-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethoxy]pyrido[4,3-d]pyrimidin-4-one (CID 66959725) is 3-methyl-7-(4-morpholin-4-ylphenyl)-5-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethoxy]pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-7-(4-morpholin-4-ylphenyl)-5-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethoxy]pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-7-(4-morpholin-4-ylphenyl)-5-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethoxy]pyrido[4,3-d]pyrimidin-4-one is Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(OCCc3cn[nH]c3C(F)(F)F)c2c1=O.
What is the InChIKey of 3-methyl-7-(4-morpholin-4-ylphenyl)-5-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethoxy]pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is AAVVVJIXVHOAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O3/c1-32-14-28-19-12-18(15-2-4-17(5-3-15)33-7-10-35-11-8-33)30-22(20(19)23(32)34)36-9-6-16-13-29-31-21(16)24(25,26)27/h2-5,12-14H,6-11H2,1H3,(H,29,31).
What are the key properties of 3-methyl-7-(4-morpholin-4-ylphenyl)-5-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethoxy]pyrido[4,3-d]pyrimidin-4-one?
3-methyl-7-(4-morpholin-4-ylphenyl)-5-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethoxy]pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 500.48 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(4-morpholin-4-ylphenyl)-5-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethoxy]pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).