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

C23H25FN4S — CID 24912494

IUPAC2-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,3-thiazole
SMILESFc1ccc(-c2csc(CN3CCc4nc(C5CCCCC5)ncc4C3)n2)cc1
InChIInChI=1S/C23H25FN4S/c24-19-8-6-16(7-9-19)21-15-29-22(26-21)14-28-11-10-20-18(13-28)12-25-23(27-20)17-4-2-1-3-5-17/h6-9,12,15,17H,1-5,10-11,13-14H2
InChIKeyCMDVETYKMMMZIY-UHFFFAOYSA-N
MW408.55 g/mol
LogP5.35
Rot. Bonds4

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

2-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,3-thiazole (PubChem CID 24912494) has the molecular formula C23H25FN4S and a molecular weight of 408.55 g/mol. Its IUPAC name is 2-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,3-thiazole
PubChem CID24912494
Molecular FormulaC23H25FN4S
Molecular Weight408.55 g/mol
Exact Mass408.18
IUPAC Name2-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,3-thiazole
SMILESFc1ccc(-c2csc(CN3CCc4nc(C5CCCCC5)ncc4C3)n2)cc1
InChIInChI=1S/C23H25FN4S/c24-19-8-6-16(7-9-19)21-15-29-22(26-21)14-28-11-10-20-18(13-28)12-25-23(27-20)17-4-2-1-3-5-17/h6-9,12,15,17H,1-5,10-11,13-14H2
InChIKeyCMDVETYKMMMZIY-UHFFFAOYSA-N
XLogP5.35
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.55
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 24912473
5-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-(4-fluorophenyl)-1,3-thiazole
CID 24915098
2-cyclopropyl-6-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915578
2-cyclohexyl-6-[(3,4,5-trifluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929927
2-cyclohexyl-6-[(6-thiophen-2-yl-2-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915413
2-cyclohexyl-6-[(2,6-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929003
2-cyclohexyl-6-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911297
2-cyclohexyl-6-[[6-(4-ethylsulfanylphenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914300
2-cyclohexyl-6-[(2-fluoro-5-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929528
2-cyclopropyl-6-[(2,6-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928937
2-cyclohexyl-6-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917302
4-(4-fluorophenyl)-2-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 99943600

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-fluorophenyl)-1,3-thiazole?
The IUPAC name of 2-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,3-thiazole (CID 24912494) is 2-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-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-fluorophenyl)-1,3-thiazole?
The canonical SMILES for 2-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,3-thiazole is Fc1ccc(-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-fluorophenyl)-1,3-thiazole?
The InChIKey is CMDVETYKMMMZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4S/c24-19-8-6-16(7-9-19)21-15-29-22(26-21)14-28-11-10-20-18(13-28)12-25-23(27-20)17-4-2-1-3-5-17/h6-9,12,15,17H,1-5,10-11,13-14H2.
What are the key properties of 2-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,3-thiazole?
2-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,3-thiazole has a molecular weight of 408.55 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 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-fluorophenyl)-1,3-thiazole is sourced from PubChem (CID 24912494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).