(5R)-4-chloro-8-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C16H13ClF3N3O2 — CID 178042811

IUPAC(5R)-4-chloro-8-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(CN2C(=O)C[C@@H](C(F)(F)F)c3c(Cl)ncnc32)cc1
InChIInChI=1S/C16H13ClF3N3O2/c1-25-10-4-2-9(3-5-10)7-23-12(24)6-11(16(18,19)20)13-14(17)21-8-22-15(13)23/h2-5,8,11H,6-7H2,1H3/t11-/m1/s1
InChIKeyAZXQTRFFIJAVDT-LLVKDONJSA-N
MW371.75 g/mol
LogP3.72
Rot. Bonds3

About (5R)-4-chloro-8-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

(5R)-4-chloro-8-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 178042811) has the molecular formula C16H13ClF3N3O2 and a molecular weight of 371.75 g/mol. Its IUPAC name is (5R)-4-chloro-8-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name(5R)-4-chloro-8-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID178042811
Molecular FormulaC16H13ClF3N3O2
Molecular Weight371.75 g/mol
Exact Mass371.06
IUPAC Name(5R)-4-chloro-8-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(CN2C(=O)C[C@@H](C(F)(F)F)c3c(Cl)ncnc32)cc1
InChIInChI=1S/C16H13ClF3N3O2/c1-25-10-4-2-9(3-5-10)7-23-12(24)6-11(16(18,19)20)13-14(17)21-8-22-15(13)23/h2-5,8,11H,6-7H2,1H3/t11-/m1/s1
InChIKeyAZXQTRFFIJAVDT-LLVKDONJSA-N
XLogP3.72
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.75
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-4-chloro-8-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of (5R)-4-chloro-8-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 178042811) is (5R)-4-chloro-8-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for (5R)-4-chloro-8-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for (5R)-4-chloro-8-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is COc1ccc(CN2C(=O)C[C@@H](C(F)(F)F)c3c(Cl)ncnc32)cc1.
What is the InChIKey of (5R)-4-chloro-8-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is AZXQTRFFIJAVDT-LLVKDONJSA-N. The full InChI is InChI=1S/C16H13ClF3N3O2/c1-25-10-4-2-9(3-5-10)7-23-12(24)6-11(16(18,19)20)13-14(17)21-8-22-15(13)23/h2-5,8,11H,6-7H2,1H3/t11-/m1/s1.
What are the key properties of (5R)-4-chloro-8-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
(5R)-4-chloro-8-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 371.75 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-chloro-8-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 178042811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).