2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine

C20H12N8S — CID 137042503

IUPAC2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
SMILESc1csc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncnc6)nc45)[nH]c23)c1
InChIInChI=1S/C20H12N8S/c1-2-15(29-7-1)12-5-6-23-19-16(12)25-20(26-19)18-17-14(27-28-18)4-3-13(24-17)11-8-21-10-22-9-11/h1-10H,(H,27,28)(H,23,25,26)
InChIKeyWLJZLXJLJUNERN-UHFFFAOYSA-N
MW396.44 g/mol
LogP4.08
Rot. Bonds3

About 2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine

2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 137042503) has the molecular formula C20H12N8S and a molecular weight of 396.44 g/mol. Its IUPAC name is 2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
PubChem CID137042503
Molecular FormulaC20H12N8S
Molecular Weight396.44 g/mol
Exact Mass396.09
IUPAC Name2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
SMILESc1csc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncnc6)nc45)[nH]c23)c1
InChIInChI=1S/C20H12N8S/c1-2-15(29-7-1)12-5-6-23-19-16(12)25-20(26-19)18-17-14(27-28-18)4-3-13(24-17)11-8-21-10-22-9-11/h1-10H,(H,27,28)(H,23,25,26)
InChIKeyWLJZLXJLJUNERN-UHFFFAOYSA-N
XLogP4.08
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
CID 137042191
N-propan-2-yl-5-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 137042293
2-methyl-N-[5-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 137042022
1-[5-[2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]thiophen-2-yl]ethanone
CID 137041993
3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine
CID 137313146
N-[5-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 137042628
2-(4-fluoro-5-pyridin-3-yl-1H-indazol-3-yl)-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
CID 137135417
3-[7-(5-chlorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridine
CID 137042509
3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine
CID 137041910
N,N-dimethyl-5-[3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 137014603
1-[5-[2-(5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]thiophen-2-yl]ethanone
CID 137041673
5-[3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 137042177

Frequently Asked Questions

What is the IUPAC name of 2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine (CID 137042503) is 2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine is c1csc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncnc6)nc45)[nH]c23)c1.
What is the InChIKey of 2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine?
The InChIKey is WLJZLXJLJUNERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N8S/c1-2-15(29-7-1)12-5-6-23-19-16(12)25-20(26-19)18-17-14(27-28-18)4-3-13(24-17)11-8-21-10-22-9-11/h1-10H,(H,27,28)(H,23,25,26).
What are the key properties of 2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine?
2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine has a molecular weight of 396.44 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 137042503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).