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

C26H21ClN4S — CID 24909346

IUPAC6-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESClc1ccc(-c2[nH]c3ccccc3c2CN2CCc3nc(-c4cccs4)ncc3C2)cc1
InChIInChI=1S/C26H21ClN4S/c27-19-9-7-17(8-10-19)25-21(20-4-1-2-5-23(20)29-25)16-31-12-11-22-18(15-31)14-28-26(30-22)24-6-3-13-32-24/h1-10,13-14,29H,11-12,15-16H2
InChIKeyKQOQMNXZAJFDDX-UHFFFAOYSA-N
MW457.00 g/mol
LogP6.57
Rot. Bonds4

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

6-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24909346) has the molecular formula C26H21ClN4S and a molecular weight of 457.00 g/mol. Its IUPAC name is 6-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24909346
Molecular FormulaC26H21ClN4S
Molecular Weight457.00 g/mol
Exact Mass456.12
IUPAC Name6-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESClc1ccc(-c2[nH]c3ccccc3c2CN2CCc3nc(-c4cccs4)ncc3C2)cc1
InChIInChI=1S/C26H21ClN4S/c27-19-9-7-17(8-10-19)25-21(20-4-1-2-5-23(20)29-25)16-31-12-11-22-18(15-31)14-28-26(30-22)24-6-3-13-32-24/h1-10,13-14,29H,11-12,15-16H2
InChIKeyKQOQMNXZAJFDDX-UHFFFAOYSA-N
XLogP6.57
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.00
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]-2-thiophen-2-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-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24909333
6-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909330
6-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911740
4-[6-[[2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline
CID 24910833
6-[(5-chloro-1H-indol-3-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910354
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
2-(4-chlorophenyl)-6-[(6-thiophen-2-yl-2-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915414
2-(furan-2-yl)-6-[(2-phenyl-1H-indol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910851
2-phenyl-7-[(2-phenyl-1H-indol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930765
6-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione
CID 24909337
2-methylsulfanyl-6-[(2-phenyl-1H-indol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910838
6-[[2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-2-thiophen-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942419

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24909346) is 6-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Clc1ccc(-c2[nH]c3ccccc3c2CN2CCc3nc(-c4cccs4)ncc3C2)cc1.
What is the InChIKey of 6-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is KQOQMNXZAJFDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN4S/c27-19-9-7-17(8-10-19)25-21(20-4-1-2-5-23(20)29-25)16-31-12-11-22-18(15-31)14-28-26(30-22)24-6-3-13-32-24/h1-10,13-14,29H,11-12,15-16H2.
What are the key properties of 6-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 457.00 g/mol, XLogP of 6.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24909346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).