(2-methylphenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone

C19H19N3O — CID 42603003

IUPAC(2-methylphenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
SMILESCc1ccccc1C(=O)N1CCC(c2c[nH]c3ncccc23)C1
InChIInChI=1S/C19H19N3O/c1-13-5-2-3-6-15(13)19(23)22-10-8-14(12-22)17-11-21-18-16(17)7-4-9-20-18/h2-7,9,11,14H,8,10,12H2,1H3,(H,20,21)
InChIKeyNLQNVTAMLMPURY-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.50
Rot. Bonds2

About (2-methylphenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone

(2-methylphenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 42603003) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is (2-methylphenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylphenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
PubChem CID42603003
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name(2-methylphenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
SMILESCc1ccccc1C(=O)N1CCC(c2c[nH]c3ncccc23)C1
InChIInChI=1S/C19H19N3O/c1-13-5-2-3-6-15(13)19(23)22-10-8-14(12-22)17-11-21-18-16(17)7-4-9-20-18/h2-7,9,11,14H,8,10,12H2,1H3,(H,20,21)
InChIKeyNLQNVTAMLMPURY-UHFFFAOYSA-N
XLogP3.50
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-methylphenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-methylphenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone (CID 42603003) is (2-methylphenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-methylphenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-methylphenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone is Cc1ccccc1C(=O)N1CCC(c2c[nH]c3ncccc23)C1.
What is the InChIKey of (2-methylphenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is NLQNVTAMLMPURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-13-5-2-3-6-15(13)19(23)22-10-8-14(12-22)17-11-21-18-16(17)7-4-9-20-18/h2-7,9,11,14H,8,10,12H2,1H3,(H,20,21).
What are the key properties of (2-methylphenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone?
(2-methylphenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 305.38 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 42603003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).