6-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-2-cyclohexyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C21H25ClFN3O — CID 135917583

IUPAC6-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-2-cyclohexyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1ccc(F)c(CN2CCc3nc(C4CCCCC4)[nH]c(=O)c3C2)c1Cl
InChIInChI=1S/C21H25ClFN3O/c1-13-7-8-17(23)15(19(13)22)11-26-10-9-18-16(12-26)21(27)25-20(24-18)14-5-3-2-4-6-14/h7-8,14H,2-6,9-12H2,1H3,(H,24,25,27)
InChIKeyXKAIBQSRROXCPY-UHFFFAOYSA-N
MW389.90 g/mol
LogP4.48
Rot. Bonds3

About 6-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-2-cyclohexyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-2-cyclohexyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135917583) has the molecular formula C21H25ClFN3O and a molecular weight of 389.90 g/mol. Its IUPAC name is 6-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-2-cyclohexyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-2-cyclohexyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135917583
Molecular FormulaC21H25ClFN3O
Molecular Weight389.90 g/mol
Exact Mass389.17
IUPAC Name6-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-2-cyclohexyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1ccc(F)c(CN2CCc3nc(C4CCCCC4)[nH]c(=O)c3C2)c1Cl
InChIInChI=1S/C21H25ClFN3O/c1-13-7-8-17(23)15(19(13)22)11-26-10-9-18-16(12-26)21(27)25-20(24-18)14-5-3-2-4-6-14/h7-8,14H,2-6,9-12H2,1H3,(H,24,25,27)
InChIKeyXKAIBQSRROXCPY-UHFFFAOYSA-N
XLogP4.48
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.90
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-2-cyclohexyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclohexyl-6-[(2,6-dichlorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917263
2-cyclohexyl-6-[(2,4-dichlorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916903
2-cyclohexyl-6-[(3,4,5-trifluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918242
2-cyclohexyl-6-[(2-methyl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947828
6-[(3-chloro-5-fluoro-4-hydroxyphenyl)methyl]-2-cyclohexyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918780
2-cyclohexyl-6-[(5-methylfuran-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135860970
6-[(4-chloro-1-methylpyrazol-3-yl)methyl]-2-cyclohexyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862067
2-cyclohexyl-6-[(1-methylpyrazol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944835
2-cyclohexyl-6-[(3-methyl-5-phenyl-1,2-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944435
2-cyclohexyl-6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945215
6-[(2-chloroquinolin-3-yl)methyl]-2-cyclohexyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862187
2-cyclohexyl-7-[(3,4-difluorophenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865019

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-2-cyclohexyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-2-cyclohexyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135917583) is 6-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-2-cyclohexyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-2-cyclohexyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-2-cyclohexyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1ccc(F)c(CN2CCc3nc(C4CCCCC4)[nH]c(=O)c3C2)c1Cl.
What is the InChIKey of 6-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-2-cyclohexyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is XKAIBQSRROXCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClFN3O/c1-13-7-8-17(23)15(19(13)22)11-26-10-9-18-16(12-26)21(27)25-20(24-18)14-5-3-2-4-6-14/h7-8,14H,2-6,9-12H2,1H3,(H,24,25,27).
What are the key properties of 6-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-2-cyclohexyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-2-cyclohexyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 389.90 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-2-cyclohexyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135917583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).