6-[[1-(benzenesulfonyl)indol-3-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C27H27N5O2S — CID 24912650

IUPAC6-[[1-(benzenesulfonyl)indol-3-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESO=S(=O)(c1ccccc1)n1cc(CN2CCc3nc(C4=NCCCC4)ncc3C2)c2ccccc21
InChIInChI=1S/C27H27N5O2S/c33-35(34,22-8-2-1-3-9-22)32-19-21(23-10-4-5-12-26(23)32)18-31-15-13-24-20(17-31)16-29-27(30-24)25-11-6-7-14-28-25/h1-5,8-10,12,16,19H,6-7,11,13-15,17-18H2
InChIKeyIGJNADAMXDMXIS-UHFFFAOYSA-N
MW485.61 g/mol
LogP4.20
Rot. Bonds5

About 6-[[1-(benzenesulfonyl)indol-3-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[[1-(benzenesulfonyl)indol-3-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24912650) has the molecular formula C27H27N5O2S and a molecular weight of 485.61 g/mol. Its IUPAC name is 6-[[1-(benzenesulfonyl)indol-3-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[[1-(benzenesulfonyl)indol-3-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24912650
Molecular FormulaC27H27N5O2S
Molecular Weight485.61 g/mol
Exact Mass485.19
IUPAC Name6-[[1-(benzenesulfonyl)indol-3-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESO=S(=O)(c1ccccc1)n1cc(CN2CCc3nc(C4=NCCCC4)ncc3C2)c2ccccc21
InChIInChI=1S/C27H27N5O2S/c33-35(34,22-8-2-1-3-9-22)32-19-21(23-10-4-5-12-26(23)32)18-31-15-13-24-20(17-31)16-29-27(30-24)25-11-6-7-14-28-25/h1-5,8-10,12,16,19H,6-7,11,13-15,17-18H2
InChIKeyIGJNADAMXDMXIS-UHFFFAOYSA-N
XLogP4.20
TPSA80.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[[1-(benzenesulfonyl)indol-3-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-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-[[1-(benzenesulfonyl)indol-3-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944144
6-[(1-phenylpyrazol-4-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912230
2-(2,3,4,5-tetrahydropyridin-6-yl)-6-[[2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929894
6-[(2,6-difluorophenyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928928
6-[(2-phenyl-1H-indol-3-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910844
6-[(2,4-dichlorophenyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928508
6-[[1-(benzenesulfonyl)indol-3-yl]methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944140
6-[(3-bromo-1-benzothiophen-2-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910949
6-[[6-(4-methylsulfonylphenyl)-2-pyridinyl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916703
6-[(2-chloro-4-fluorophenyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929159
1-(benzenesulfonyl)-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 10317027
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

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(benzenesulfonyl)indol-3-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[[1-(benzenesulfonyl)indol-3-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24912650) is 6-[[1-(benzenesulfonyl)indol-3-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-[[1-(benzenesulfonyl)indol-3-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[[1-(benzenesulfonyl)indol-3-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is O=S(=O)(c1ccccc1)n1cc(CN2CCc3nc(C4=NCCCC4)ncc3C2)c2ccccc21.
What is the InChIKey of 6-[[1-(benzenesulfonyl)indol-3-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is IGJNADAMXDMXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2S/c33-35(34,22-8-2-1-3-9-22)32-19-21(23-10-4-5-12-26(23)32)18-31-15-13-24-20(17-31)16-29-27(30-24)25-11-6-7-14-28-25/h1-5,8-10,12,16,19H,6-7,11,13-15,17-18H2.
What are the key properties of 6-[[1-(benzenesulfonyl)indol-3-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[[1-(benzenesulfonyl)indol-3-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 485.61 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(benzenesulfonyl)indol-3-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24912650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).