1-methyl-5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid

C17H20N2O2 — CID 53213216

IUPAC1-methyl-5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
SMILESCc1ccc(CN2CCc3c(cc(C(=O)O)n3C)C2)cc1
InChIInChI=1S/C17H20N2O2/c1-12-3-5-13(6-4-12)10-19-8-7-15-14(11-19)9-16(17(20)21)18(15)2/h3-6,9H,7-8,10-11H2,1-2H3,(H,20,21)
InChIKeyRBUSYVHVKHTNLM-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.59
Rot. Bonds3

About 1-methyl-5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid

1-methyl-5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid (PubChem CID 53213216) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-methyl-5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
PubChem CID53213216
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-methyl-5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
SMILESCc1ccc(CN2CCc3c(cc(C(=O)O)n3C)C2)cc1
InChIInChI=1S/C17H20N2O2/c1-12-3-5-13(6-4-12)10-19-8-7-15-14(11-19)9-16(17(20)21)18(15)2/h3-6,9H,7-8,10-11H2,1-2H3,(H,20,21)
InChIKeyRBUSYVHVKHTNLM-UHFFFAOYSA-N
XLogP2.59
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid 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

1-methyl-5-[(4-methylphenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 53160740
N-butyl-N,1-dimethyl-5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 53160724
5-[(3-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 155926291
5-[(2-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 53213218
5-[(4-fluorophenyl)methyl]-N,1-dimethyl-N-propyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 53160802
5-methyl-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylic acid
CID 69281320
5-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 53160790
1-methyl-4,5,6,7-tetrahydroindole-2-carboxylic acid
CID 83816824
[5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 53160743
1,5-dibenzyl-2-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine
CID 21498263
1-methyl-4-[(4-methylphenyl)methyl]-1,4-diazepane;oxalic acid
CID 163327143
5-[(3-fluorophenyl)methyl]-1-methyl-N-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 53160831

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid?
The IUPAC name of 1-methyl-5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid (CID 53213216) is 1-methyl-5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 1-methyl-5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid?
The canonical SMILES for 1-methyl-5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid is Cc1ccc(CN2CCc3c(cc(C(=O)O)n3C)C2)cc1.
What is the InChIKey of 1-methyl-5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid?
The InChIKey is RBUSYVHVKHTNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-3-5-13(6-4-12)10-19-8-7-15-14(11-19)9-16(17(20)21)18(15)2/h3-6,9H,7-8,10-11H2,1-2H3,(H,20,21).
What are the key properties of 1-methyl-5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid?
1-methyl-5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 53213216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).