(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

Related Compounds

1-(5-Fluoropentyl)-N-(1-methyl-1-phenylethyl)-1H-pyrrolo(2,3-b)pyridine-3-carboxamide
CID 129532613
Y-39983
CID 11507964
PF-Akt400
CID 25061501
2-((2-((2-Methyl-4-(1-propyl-1,2,5,6-tetrahydropyridin-3-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)benzamide
CID 25218593
2-{1H-pyrrolo[2,3-b]pyridin-4-yl}-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11557879
4-Tert-Butyl-N-[6-(1h-Imidazol-1-Yl)imidazo[1,2-A]pyridin-2-Yl]benzamide
CID 24944925
4-~{tert}-butyl-~{N}-[[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide
CID 74221357
(S)-N-((3-amino-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl)methyl)-2,4-difluorobenzamide
CID 46838190
4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzamide
CID 69183822
N-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]prop-2-enamide
CID 69990516
Btk-IN-15
CID 164887528
4-tert-butyl-N-[[2-methyl-4-[5-(1-prop-2-enoylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methyl]benzamide
CID 168277777

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).