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

C25H28N4O2S — CID 24915716

IUPAC6-[[5-(3,4-dimethoxyphenyl)thiophen-2-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ccc(-c2ccc(CN3CCc4nc(C5=NCCCC5)ncc4C3)s2)cc1OC
InChIInChI=1S/C25H28N4O2S/c1-30-22-8-6-17(13-23(22)31-2)24-9-7-19(32-24)16-29-12-10-20-18(15-29)14-27-25(28-20)21-5-3-4-11-26-21/h6-9,13-14H,3-5,10-12,15-16H2,1-2H3
InChIKeyUQBCCDULQWMKHT-UHFFFAOYSA-N
MW448.59 g/mol
LogP4.75
Rot. Bonds6

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

6-[[5-(3,4-dimethoxyphenyl)thiophen-2-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24915716) has the molecular formula C25H28N4O2S and a molecular weight of 448.59 g/mol. Its IUPAC name is 6-[[5-(3,4-dimethoxyphenyl)thiophen-2-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[[5-(3,4-dimethoxyphenyl)thiophen-2-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24915716
Molecular FormulaC25H28N4O2S
Molecular Weight448.59 g/mol
Exact Mass448.19
IUPAC Name6-[[5-(3,4-dimethoxyphenyl)thiophen-2-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ccc(-c2ccc(CN3CCc4nc(C5=NCCCC5)ncc4C3)s2)cc1OC
InChIInChI=1S/C25H28N4O2S/c1-30-22-8-6-17(13-23(22)31-2)24-9-7-19(32-24)16-29-12-10-20-18(15-29)14-27-25(28-20)21-5-3-4-11-26-21/h6-9,13-14H,3-5,10-12,15-16H2,1-2H3
InChIKeyUQBCCDULQWMKHT-UHFFFAOYSA-N
XLogP4.75
TPSA59.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

6-[[5-(3,4-dimethoxyphenyl)thiophen-2-yl]methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915722
5-(4-methoxyphenyl)-3-[[2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,2-oxazole
CID 24916094
6-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911062
6-[[6-(5-chloro-2-methoxyphenyl)-3-pyridinyl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914351
6-[[5-(3-methoxyphenyl)thiophen-2-yl]methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915647
6-[[5-(2-methoxyphenyl)thiophen-2-yl]methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915635
4-[6-[[6-(3,4-dimethoxyphenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline
CID 24914613
2-tert-butyl-6-[(3,4-dimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24930080
6-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911684
6-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911725
2-tert-butyl-6-[[5-(2-methoxyphenyl)thiophen-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915629
4-[5-[[2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-yl]morpholine
CID 24911495

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(3,4-dimethoxyphenyl)thiophen-2-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[[5-(3,4-dimethoxyphenyl)thiophen-2-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24915716) is 6-[[5-(3,4-dimethoxyphenyl)thiophen-2-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[[5-(3,4-dimethoxyphenyl)thiophen-2-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[[5-(3,4-dimethoxyphenyl)thiophen-2-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1ccc(-c2ccc(CN3CCc4nc(C5=NCCCC5)ncc4C3)s2)cc1OC.
What is the InChIKey of 6-[[5-(3,4-dimethoxyphenyl)thiophen-2-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is UQBCCDULQWMKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2S/c1-30-22-8-6-17(13-23(22)31-2)24-9-7-19(32-24)16-29-12-10-20-18(15-29)14-27-25(28-20)21-5-3-4-11-26-21/h6-9,13-14H,3-5,10-12,15-16H2,1-2H3.
What are the key properties of 6-[[5-(3,4-dimethoxyphenyl)thiophen-2-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[[5-(3,4-dimethoxyphenyl)thiophen-2-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 448.59 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(3,4-dimethoxyphenyl)thiophen-2-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24915716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).