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

C24H20ClN3S — CID 24911725

IUPAC6-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESClc1ccc(-c2ccc(CN3CCc4nc(-c5ccccc5)ncc4C3)s2)cc1
InChIInChI=1S/C24H20ClN3S/c25-20-8-6-17(7-9-20)23-11-10-21(29-23)16-28-13-12-22-19(15-28)14-26-24(27-22)18-4-2-1-3-5-18/h1-11,14H,12-13,15-16H2
InChIKeyRYAXLJOJSJXCNA-UHFFFAOYSA-N
MW417.97 g/mol
LogP6.08
Rot. Bonds4

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

6-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24911725) has the molecular formula C24H20ClN3S and a molecular weight of 417.97 g/mol. Its IUPAC name is 6-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24911725
Molecular FormulaC24H20ClN3S
Molecular Weight417.97 g/mol
Exact Mass417.11
IUPAC Name6-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESClc1ccc(-c2ccc(CN3CCc4nc(-c5ccccc5)ncc4C3)s2)cc1
InChIInChI=1S/C24H20ClN3S/c25-20-8-6-17(7-9-20)23-11-10-21(29-23)16-28-13-12-22-19(15-28)14-26-24(27-22)18-4-2-1-3-5-18/h1-11,14H,12-13,15-16H2
InChIKeyRYAXLJOJSJXCNA-UHFFFAOYSA-N
XLogP6.08
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.97
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

6-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911740
6-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911733
2-(4-chlorophenyl)-6-[(5-chlorothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909324
6-[(5-phenylthiophen-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911338
3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-5-phenyl-1,2-oxazole
CID 24916149
2-(4-chlorophenyl)-6-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928899
2-pyridin-4-yl-6-[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915697
6-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911062
2-(4-chlorophenyl)-6-[(2,3-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928227
6-[(5-chlorothiophen-2-yl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909314
4-[5-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine
CID 24911508
2-chloro-3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]phenol
CID 24929130

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24911725) is 6-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Clc1ccc(-c2ccc(CN3CCc4nc(-c5ccccc5)ncc4C3)s2)cc1.
What is the InChIKey of 6-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is RYAXLJOJSJXCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3S/c25-20-8-6-17(7-9-20)23-11-10-21(29-23)16-28-13-12-22-19(15-28)14-26-24(27-22)18-4-2-1-3-5-18/h1-11,14H,12-13,15-16H2.
What are the key properties of 6-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 417.97 g/mol, XLogP of 6.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24911725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).