3-[(6-chloro-3-pyridinyl)methyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine

C17H12ClN3S — CID 11151524

IUPAC3-[(6-chloro-3-pyridinyl)methyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine
SMILESClc1ccc(Cc2c[nH]c3nccc(-c4ccsc4)c23)cn1
InChIInChI=1S/C17H12ClN3S/c18-15-2-1-11(8-20-15)7-13-9-21-17-16(13)14(3-5-19-17)12-4-6-22-10-12/h1-6,8-10H,7H2,(H,19,21)
InChIKeyPKBLYINFSSVLPT-UHFFFAOYSA-N
MW325.82 g/mol
LogP4.93
Rot. Bonds3

About 3-[(6-chloro-3-pyridinyl)methyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine

3-[(6-chloro-3-pyridinyl)methyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 11151524) has the molecular formula C17H12ClN3S and a molecular weight of 325.82 g/mol. Its IUPAC name is 3-[(6-chloro-3-pyridinyl)methyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[(6-chloro-3-pyridinyl)methyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID11151524
Molecular FormulaC17H12ClN3S
Molecular Weight325.82 g/mol
Exact Mass325.04
IUPAC Name3-[(6-chloro-3-pyridinyl)methyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine
SMILESClc1ccc(Cc2c[nH]c3nccc(-c4ccsc4)c23)cn1
InChIInChI=1S/C17H12ClN3S/c18-15-2-1-11(8-20-15)7-13-9-21-17-16(13)14(3-5-19-17)12-4-6-22-10-12/h1-6,8-10H,7H2,(H,19,21)
InChIKeyPKBLYINFSSVLPT-UHFFFAOYSA-N
XLogP4.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-[(6-chloro-3-pyridinyl)methyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine 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

3-(2-chloro-3-fluorophenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 90221373
(3-hydroxyphenyl)-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 143385108
3-[3-fluoro-2-(trifluoromethyl)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 90398781
5-[(4-ethynyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
CID 58259176
N-ethyl-N-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]sulfanylethanamine
CID 144646806
[4-(6-bromo-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 87697100
3-(1-methylsulfonylpiperidin-4-yl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 118967681
3-(pyridin-3-ylmethyl)-2-thiophen-3-ylphenol
CID 57195541
2-chloro-5-(thiophen-2-ylmethyl)pyridine
CID 20981421
[4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanamine
CID 170449818
3-[[6-[2-(6-chloro-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-5-cyclopropyl-1H-pyrrolo[2,3-b]pyridine
CID 58259004
3-[(6-methoxy-3-pyridinyl)methyl]-4-thiophen-3-yl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 71026287

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-3-pyridinyl)methyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[(6-chloro-3-pyridinyl)methyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine (CID 11151524) is 3-[(6-chloro-3-pyridinyl)methyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[(6-chloro-3-pyridinyl)methyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[(6-chloro-3-pyridinyl)methyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine is Clc1ccc(Cc2c[nH]c3nccc(-c4ccsc4)c23)cn1.
What is the InChIKey of 3-[(6-chloro-3-pyridinyl)methyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is PKBLYINFSSVLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3S/c18-15-2-1-11(8-20-15)7-13-9-21-17-16(13)14(3-5-19-17)12-4-6-22-10-12/h1-6,8-10H,7H2,(H,19,21).
What are the key properties of 3-[(6-chloro-3-pyridinyl)methyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine?
3-[(6-chloro-3-pyridinyl)methyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 325.82 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-3-pyridinyl)methyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 11151524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).