4-[2-methyl-3-(methylamino)phenyl]-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-7-carbaldehyde

C23H25N3O3S — CID 138641013

IUPAC4-[2-methyl-3-(methylamino)phenyl]-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-7-carbaldehyde
SMILESCNc1cccc(-c2ccc(C=O)c3[nH]c(C4=CCN(S(C)(=O)=O)CC4)cc23)c1C
InChIInChI=1S/C23H25N3O3S/c1-15-18(5-4-6-21(15)24-2)19-8-7-17(14-27)23-20(19)13-22(25-23)16-9-11-26(12-10-16)30(3,28)29/h4-9,13-14,24-25H,10-12H2,1-3H3
InChIKeyQXTKGIGIWBFMLQ-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.05
Rot. Bonds5

About 4-[2-methyl-3-(methylamino)phenyl]-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-7-carbaldehyde

4-[2-methyl-3-(methylamino)phenyl]-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-7-carbaldehyde (PubChem CID 138641013) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is 4-[2-methyl-3-(methylamino)phenyl]-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-7-carbaldehyde.

Molecular Properties

Compound Name4-[2-methyl-3-(methylamino)phenyl]-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-7-carbaldehyde
PubChem CID138641013
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC Name4-[2-methyl-3-(methylamino)phenyl]-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-7-carbaldehyde
SMILESCNc1cccc(-c2ccc(C=O)c3[nH]c(C4=CCN(S(C)(=O)=O)CC4)cc23)c1C
InChIInChI=1S/C23H25N3O3S/c1-15-18(5-4-6-21(15)24-2)19-8-7-17(14-27)23-20(19)13-22(25-23)16-9-11-26(12-10-16)30(3,28)29/h4-9,13-14,24-25H,10-12H2,1-3H3
InChIKeyQXTKGIGIWBFMLQ-UHFFFAOYSA-N
XLogP4.05
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-[2-methyl-3-(methylamino)phenyl]-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-7-carbaldehyde 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

4-(3-chlorophenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 90420022
N-[3-[7-carbamoyl-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-4-yl]-2-methylphenyl]-1,3-thiazole-2-carboxamide
CID 138641063
4-(4-fluoro-2-methoxyphenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 90421522
4-(3,4-dichlorophenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 90421028
4-(4,5-difluoro-2-methoxyphenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 90420289
4-(2-fluoro-5-propan-2-yloxyphenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 90420918
1-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)anthracene-9,10-dione
CID 154697560
3-methyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-9H-pyrido[2,3-b]indole-8-carbaldehyde
CID 147733826
7-methoxy-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
CID 123359922
5-fluoro-4-(5-fluoro-2-methoxyphenyl)-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 90419558
N,12-dimethyl-4-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-3-thia-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 71169994
5-bromo-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
CID 84569970

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-3-(methylamino)phenyl]-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-7-carbaldehyde?
The IUPAC name of 4-[2-methyl-3-(methylamino)phenyl]-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-7-carbaldehyde (CID 138641013) is 4-[2-methyl-3-(methylamino)phenyl]-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-7-carbaldehyde.
What is the SMILES notation for 4-[2-methyl-3-(methylamino)phenyl]-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-7-carbaldehyde?
The canonical SMILES for 4-[2-methyl-3-(methylamino)phenyl]-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-7-carbaldehyde is CNc1cccc(-c2ccc(C=O)c3[nH]c(C4=CCN(S(C)(=O)=O)CC4)cc23)c1C.
What is the InChIKey of 4-[2-methyl-3-(methylamino)phenyl]-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-7-carbaldehyde?
The InChIKey is QXTKGIGIWBFMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-15-18(5-4-6-21(15)24-2)19-8-7-17(14-27)23-20(19)13-22(25-23)16-9-11-26(12-10-16)30(3,28)29/h4-9,13-14,24-25H,10-12H2,1-3H3.
What are the key properties of 4-[2-methyl-3-(methylamino)phenyl]-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-7-carbaldehyde?
4-[2-methyl-3-(methylamino)phenyl]-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-7-carbaldehyde has a molecular weight of 423.54 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-3-(methylamino)phenyl]-2-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-7-carbaldehyde is sourced from PubChem (CID 138641013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).