5-(4-chloro-2-fluorophenyl)-7-[2-(3-methoxyphenyl)morpholin-4-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one

C26H24ClFN4O3 — CID 166830525

IUPAC5-(4-chloro-2-fluorophenyl)-7-[2-(3-methoxyphenyl)morpholin-4-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one
SMILESCOc1cccc(C2CN(c3cc4nc(C)n(C)c(=O)c4c(-c4ccc(Cl)cc4F)n3)CCO2)c1
InChIInChI=1S/C26H24ClFN4O3/c1-15-29-21-13-23(32-9-10-35-22(14-32)16-5-4-6-18(11-16)34-3)30-25(24(21)26(33)31(15)2)19-8-7-17(27)12-20(19)28/h4-8,11-13,22H,9-10,14H2,1-3H3
InChIKeyYSDOJRNALAXGEP-UHFFFAOYSA-N
MW494.95 g/mol
LogP4.68
Rot. Bonds4

About 5-(4-chloro-2-fluorophenyl)-7-[2-(3-methoxyphenyl)morpholin-4-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one

5-(4-chloro-2-fluorophenyl)-7-[2-(3-methoxyphenyl)morpholin-4-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one (PubChem CID 166830525) has the molecular formula C26H24ClFN4O3 and a molecular weight of 494.95 g/mol. Its IUPAC name is 5-(4-chloro-2-fluorophenyl)-7-[2-(3-methoxyphenyl)morpholin-4-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-chloro-2-fluorophenyl)-7-[2-(3-methoxyphenyl)morpholin-4-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one
PubChem CID166830525
Molecular FormulaC26H24ClFN4O3
Molecular Weight494.95 g/mol
Exact Mass494.15
IUPAC Name5-(4-chloro-2-fluorophenyl)-7-[2-(3-methoxyphenyl)morpholin-4-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one
SMILESCOc1cccc(C2CN(c3cc4nc(C)n(C)c(=O)c4c(-c4ccc(Cl)cc4F)n3)CCO2)c1
InChIInChI=1S/C26H24ClFN4O3/c1-15-29-21-13-23(32-9-10-35-22(14-32)16-5-4-6-18(11-16)34-3)30-25(24(21)26(33)31(15)2)19-8-7-17(27)12-20(19)28/h4-8,11-13,22H,9-10,14H2,1-3H3
InChIKeyYSDOJRNALAXGEP-UHFFFAOYSA-N
XLogP4.68
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.95
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-fluorophenyl)-7-[2-(3-methoxyphenyl)morpholin-4-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-chloro-2-fluorophenyl)-7-[2-(3-methoxyphenyl)morpholin-4-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one (CID 166830525) is 5-(4-chloro-2-fluorophenyl)-7-[2-(3-methoxyphenyl)morpholin-4-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-chloro-2-fluorophenyl)-7-[2-(3-methoxyphenyl)morpholin-4-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-chloro-2-fluorophenyl)-7-[2-(3-methoxyphenyl)morpholin-4-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one is COc1cccc(C2CN(c3cc4nc(C)n(C)c(=O)c4c(-c4ccc(Cl)cc4F)n3)CCO2)c1.
What is the InChIKey of 5-(4-chloro-2-fluorophenyl)-7-[2-(3-methoxyphenyl)morpholin-4-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one?
The InChIKey is YSDOJRNALAXGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN4O3/c1-15-29-21-13-23(32-9-10-35-22(14-32)16-5-4-6-18(11-16)34-3)30-25(24(21)26(33)31(15)2)19-8-7-17(27)12-20(19)28/h4-8,11-13,22H,9-10,14H2,1-3H3.
What are the key properties of 5-(4-chloro-2-fluorophenyl)-7-[2-(3-methoxyphenyl)morpholin-4-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one?
5-(4-chloro-2-fluorophenyl)-7-[2-(3-methoxyphenyl)morpholin-4-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one has a molecular weight of 494.95 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-fluorophenyl)-7-[2-(3-methoxyphenyl)morpholin-4-yl]-2,3-dimethylpyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 166830525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).