2-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-(4-methoxyphenyl)-1,3-thiazole

C24H28N4OS — CID 24912473

IUPAC2-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-(4-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(CN3CCc4nc(C5CCCCC5)ncc4C3)n2)cc1
InChIInChI=1S/C24H28N4OS/c1-29-20-9-7-17(8-10-20)22-16-30-23(26-22)15-28-12-11-21-19(14-28)13-25-24(27-21)18-5-3-2-4-6-18/h7-10,13,16,18H,2-6,11-12,14-15H2,1H3
InChIKeyBZKVEKLKNFBFSK-UHFFFAOYSA-N
MW420.58 g/mol
LogP5.21
Rot. Bonds5

About 2-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-(4-methoxyphenyl)-1,3-thiazole

2-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-(4-methoxyphenyl)-1,3-thiazole (PubChem CID 24912473) has the molecular formula C24H28N4OS and a molecular weight of 420.58 g/mol. Its IUPAC name is 2-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-(4-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-(4-methoxyphenyl)-1,3-thiazole
PubChem CID24912473
Molecular FormulaC24H28N4OS
Molecular Weight420.58 g/mol
Exact Mass420.20
IUPAC Name2-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-(4-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(CN3CCc4nc(C5CCCCC5)ncc4C3)n2)cc1
InChIInChI=1S/C24H28N4OS/c1-29-20-9-7-17(8-10-20)22-16-30-23(26-22)15-28-12-11-21-19(14-28)13-25-24(27-21)18-5-3-2-4-6-18/h7-10,13,16,18H,2-6,11-12,14-15H2,1H3
InChIKeyBZKVEKLKNFBFSK-UHFFFAOYSA-N
XLogP5.21
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.58
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,3-thiazole
CID 24912494
2-cyclohexyl-6-[(2-fluoro-5-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929528
2-cyclohexyl-6-[(5-methoxy-1-methylindol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911549
2-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenol
CID 24929714
4-(4-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84570130
2-cyclohexyl-6-[(2,6-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929003
2-cyclopropyl-7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930292
2-cyclohexyl-6-[(6-thiophen-2-yl-2-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915413
2-cyclohexyl-6-[[6-(4-ethylsulfanylphenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914300
1-[(3R)-3-[6-[(4-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 92549101
5-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-(4-fluorophenyl)-1,3-thiazole
CID 24915098
2-cyclohexyl-6-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911297

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-(4-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 2-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-(4-methoxyphenyl)-1,3-thiazole (CID 24912473) is 2-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-(4-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 2-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-(4-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 2-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-(4-methoxyphenyl)-1,3-thiazole is COc1ccc(-c2csc(CN3CCc4nc(C5CCCCC5)ncc4C3)n2)cc1.
What is the InChIKey of 2-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-(4-methoxyphenyl)-1,3-thiazole?
The InChIKey is BZKVEKLKNFBFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4OS/c1-29-20-9-7-17(8-10-20)22-16-30-23(26-22)15-28-12-11-21-19(14-28)13-25-24(27-21)18-5-3-2-4-6-18/h7-10,13,16,18H,2-6,11-12,14-15H2,1H3.
What are the key properties of 2-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-(4-methoxyphenyl)-1,3-thiazole?
2-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-(4-methoxyphenyl)-1,3-thiazole has a molecular weight of 420.58 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-(4-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 24912473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).