4-(5-chlorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-(5-chlorothiophen-2-yl)pyrrolo[2,3-b]pyridin-1-yl]ethanone;ethane

C26H22Cl2N4OS2 — CID 143922688

IUPAC4-(5-chlorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-(5-chlorothiophen-2-yl)pyrrolo[2,3-b]pyridin-1-yl]ethanone;ethane
SMILESCC.CC(=O)n1ccc2c(-c3ccc(Cl)s3)ccnc21.Clc1ccc(-c2ccnc3[nH]ccc23)s1
InChIInChI=1S/C13H9ClN2OS.C11H7ClN2S.C2H6/c1-8(17)16-7-5-10-9(4-6-15-13(10)16)11-2-3-12(14)18-11;12-10-2-1-9(15-10)7-3-5-13-11-8(7)4-6-14-11;1-2/h2-7H,1H3;1-6H,(H,13,14);1-2H3
InChIKeyUNNZBKPMYZOOGP-UHFFFAOYSA-N
MW541.53 g/mol
LogP9.05
Rot. Bonds2

About 4-(5-chlorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-(5-chlorothiophen-2-yl)pyrrolo[2,3-b]pyridin-1-yl]ethanone;ethane

4-(5-chlorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-(5-chlorothiophen-2-yl)pyrrolo[2,3-b]pyridin-1-yl]ethanone;ethane (PubChem CID 143922688) has the molecular formula C26H22Cl2N4OS2 and a molecular weight of 541.53 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-(5-chlorothiophen-2-yl)pyrrolo[2,3-b]pyridin-1-yl]ethanone;ethane.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-(5-chlorothiophen-2-yl)pyrrolo[2,3-b]pyridin-1-yl]ethanone;ethane
PubChem CID143922688
Molecular FormulaC26H22Cl2N4OS2
Molecular Weight541.53 g/mol
Exact Mass540.06
IUPAC Name4-(5-chlorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-(5-chlorothiophen-2-yl)pyrrolo[2,3-b]pyridin-1-yl]ethanone;ethane
SMILESCC.CC(=O)n1ccc2c(-c3ccc(Cl)s3)ccnc21.Clc1ccc(-c2ccnc3[nH]ccc23)s1
InChIInChI=1S/C13H9ClN2OS.C11H7ClN2S.C2H6/c1-8(17)16-7-5-10-9(4-6-15-13(10)16)11-2-3-12(14)18-11;12-10-2-1-9(15-10)7-3-5-13-11-8(7)4-6-14-11;1-2/h2-7H,1H3;1-6H,(H,13,14);1-2H3
InChIKeyUNNZBKPMYZOOGP-UHFFFAOYSA-N
XLogP9.05
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.53
LogP ≤ 59.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(5-chlorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-(5-chlorothiophen-2-yl)pyrrolo[2,3-b]pyridin-1-yl]ethanone;ethane with MolForge

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Related Compounds

4-{1H-pyrrolo[2,3-b]pyridin-3-yl}-N-[2-(thiophen-2-yl)ethyl]-1,2,3,6-tetrahydropyridine-1-carboxamide
CID 44632634
4-(5-chloro-3-methylbenzo[b]thiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 46889889
N-[[5-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 59362478
1-(3,4-Difluoro-benzyl)-2-oxo-1,2-dihydro-pyridine-3-carboxylic acid [5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-thiophen-2-ylmethyl]-amide
CID 59362744
US10995089, Example 5
CID 129135122
US10995089, Example 6
CID 129135196
5-chloro-N-[2-(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]thiophene-2-carboxamide
CID 53145042
(3R)-3-[[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-1,4-dihydropyrimidin-6-yl]amino]methyl]-N-thiophen-3-ylpiperidine-1-carboxamide
CID 68101890
3-(2-chloro-3-fluoro-4-pyridinyl)-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 76282207
N-[[5-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-6-oxo-2,3-dihydropyridine-5-carboxamide
CID 143605201
1-[(2R)-2-[3-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]hexyl]-2H-pyridin-1-yl]-2-thiophen-2-ylethanone
CID 150649623
3-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine
CID 155805320

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-(5-chlorothiophen-2-yl)pyrrolo[2,3-b]pyridin-1-yl]ethanone;ethane?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-(5-chlorothiophen-2-yl)pyrrolo[2,3-b]pyridin-1-yl]ethanone;ethane (CID 143922688) is 4-(5-chlorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-(5-chlorothiophen-2-yl)pyrrolo[2,3-b]pyridin-1-yl]ethanone;ethane.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-(5-chlorothiophen-2-yl)pyrrolo[2,3-b]pyridin-1-yl]ethanone;ethane?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-(5-chlorothiophen-2-yl)pyrrolo[2,3-b]pyridin-1-yl]ethanone;ethane is CC.CC(=O)n1ccc2c(-c3ccc(Cl)s3)ccnc21.Clc1ccc(-c2ccnc3[nH]ccc23)s1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-(5-chlorothiophen-2-yl)pyrrolo[2,3-b]pyridin-1-yl]ethanone;ethane?
The InChIKey is UNNZBKPMYZOOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2OS.C11H7ClN2S.C2H6/c1-8(17)16-7-5-10-9(4-6-15-13(10)16)11-2-3-12(14)18-11;12-10-2-1-9(15-10)7-3-5-13-11-8(7)4-6-14-11;1-2/h2-7H,1H3;1-6H,(H,13,14);1-2H3.
What are the key properties of 4-(5-chlorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-(5-chlorothiophen-2-yl)pyrrolo[2,3-b]pyridin-1-yl]ethanone;ethane?
4-(5-chlorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-(5-chlorothiophen-2-yl)pyrrolo[2,3-b]pyridin-1-yl]ethanone;ethane has a molecular weight of 541.53 g/mol, XLogP of 9.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-(5-chlorothiophen-2-yl)pyrrolo[2,3-b]pyridin-1-yl]ethanone;ethane is sourced from PubChem (CID 143922688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).