2-(4-chlorophenyl)-6-[(3,4-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C20H16ClF2N3 — CID 24930012

IUPAC2-(4-chlorophenyl)-6-[(3,4-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFc1ccc(CN2CCc3nc(-c4ccc(Cl)cc4)ncc3C2)cc1F
InChIInChI=1S/C20H16ClF2N3/c21-16-4-2-14(3-5-16)20-24-10-15-12-26(8-7-19(15)25-20)11-13-1-6-17(22)18(23)9-13/h1-6,9-10H,7-8,11-12H2
InChIKeyVSMCTRWDDFAMKW-UHFFFAOYSA-N
MW371.82 g/mol
LogP4.63
Rot. Bonds3

About 2-(4-chlorophenyl)-6-[(3,4-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-(4-chlorophenyl)-6-[(3,4-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24930012) has the molecular formula C20H16ClF2N3 and a molecular weight of 371.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-[(3,4-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-[(3,4-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24930012
Molecular FormulaC20H16ClF2N3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name2-(4-chlorophenyl)-6-[(3,4-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFc1ccc(CN2CCc3nc(-c4ccc(Cl)cc4)ncc3C2)cc1F
InChIInChI=1S/C20H16ClF2N3/c21-16-4-2-14(3-5-16)20-24-10-15-12-26(8-7-19(15)25-20)11-13-1-6-17(22)18(23)9-13/h1-6,9-10H,7-8,11-12H2
InChIKeyVSMCTRWDDFAMKW-UHFFFAOYSA-N
XLogP4.63
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenyl)-6-[(3,4-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine 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

6-[(5-bromo-3-pyridinyl)methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913188
6-[(1-benzylpyrazol-4-yl)methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912222
2-(4-chlorophenyl)-6-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929571
2-(4-chlorophenyl)-6-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928899
2-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]benzene-1,3,5-triol
CID 24928479
2-(4-chlorophenyl)-6-[(5-chlorothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909324
6-[(4-bromofuran-2-yl)methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911088
6-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913048
4-[6-[(2,4,5-trifluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline
CID 24928413
6-[(5-chloro-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917775
2-(4-chlorophenyl)-6-[(2,3-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928227
2-(4-chlorophenyl)-6-[(2-chloroquinolin-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909891

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-[(3,4-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-(4-chlorophenyl)-6-[(3,4-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24930012) is 2-(4-chlorophenyl)-6-[(3,4-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-(4-chlorophenyl)-6-[(3,4-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-(4-chlorophenyl)-6-[(3,4-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Fc1ccc(CN2CCc3nc(-c4ccc(Cl)cc4)ncc3C2)cc1F.
What is the InChIKey of 2-(4-chlorophenyl)-6-[(3,4-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is VSMCTRWDDFAMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF2N3/c21-16-4-2-14(3-5-16)20-24-10-15-12-26(8-7-19(15)25-20)11-13-1-6-17(22)18(23)9-13/h1-6,9-10H,7-8,11-12H2.
What are the key properties of 2-(4-chlorophenyl)-6-[(3,4-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-(4-chlorophenyl)-6-[(3,4-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 371.82 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-[(3,4-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24930012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).