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

C20H12N8S — CID 136937444

IUPAC2-(5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
SMILESc1cnc(-c2cc3c(-c4nc5nccc(-c6ccsc6)c5[nH]4)n[nH]c3cn2)cn1
InChIInChI=1S/C20H12N8S/c1-3-23-19-17(12(1)11-2-6-29-10-11)25-20(26-19)18-13-7-14(16-8-21-4-5-22-16)24-9-15(13)27-28-18/h1-10H,(H,27,28)(H,23,25,26)
InChIKeyLRIGKYIYHPELMS-UHFFFAOYSA-N
MW396.44 g/mol
LogP4.08
Rot. Bonds3

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

2-(5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 136937444) has the molecular formula C20H12N8S and a molecular weight of 396.44 g/mol. Its IUPAC name is 2-(5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
PubChem CID136937444
Molecular FormulaC20H12N8S
Molecular Weight396.44 g/mol
Exact Mass396.09
IUPAC Name2-(5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
SMILESc1cnc(-c2cc3c(-c4nc5nccc(-c6ccsc6)c5[nH]4)n[nH]c3cn2)cn1
InChIInChI=1S/C20H12N8S/c1-3-23-19-17(12(1)11-2-6-29-10-11)25-20(26-19)18-13-7-14(16-8-21-4-5-22-16)24-9-15(13)27-28-18/h1-10H,(H,27,28)(H,23,25,26)
InChIKeyLRIGKYIYHPELMS-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-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
CID 136937438
2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
CID 136937613
5-pyridin-2-yl-3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 136937369
N-pent-1-en-2-yl-5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
CID 145035131
N-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 137055640
3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine
CID 136937475
2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
CID 137056920
2-[5-[5-(piperidin-4-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
CID 145035022
3-methyl-N-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137055634
N-(3-piperidin-4-ylprop-1-en-2-yl)-5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
CID 145035753
2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
CID 137134087
3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine
CID 136937443

Frequently Asked Questions

What is the IUPAC name of 2-(5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine (CID 136937444) is 2-(5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine is c1cnc(-c2cc3c(-c4nc5nccc(-c6ccsc6)c5[nH]4)n[nH]c3cn2)cn1.
What is the InChIKey of 2-(5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine?
The InChIKey is LRIGKYIYHPELMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N8S/c1-3-23-19-17(12(1)11-2-6-29-10-11)25-20(26-19)18-13-7-14(16-8-21-4-5-22-16)24-9-15(13)27-28-18/h1-10H,(H,27,28)(H,23,25,26).
What are the key properties of 2-(5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine?
2-(5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-7-thiophen-3-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-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 136937444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).