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

C21H15N9 — CID 137056079

IUPAC3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine
SMILESCc1cn(-c2ccnc3nc(-c4[nH]nc5ncc(-c6cccnc6)cc45)[nH]c23)cn1
InChIInChI=1S/C21H15N9/c1-12-10-30(11-25-12)16-4-6-23-20-18(16)26-21(27-20)17-15-7-14(9-24-19(15)29-28-17)13-3-2-5-22-8-13/h2-11H,1H3,(H,23,26,27)(H,24,28,29)
InChIKeyWDAJWYUTBNYTBW-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.45
Rot. Bonds3

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

3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137056079) has the molecular formula C21H15N9 and a molecular weight of 393.41 g/mol. Its IUPAC name is 3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine
PubChem CID137056079
Molecular FormulaC21H15N9
Molecular Weight393.41 g/mol
Exact Mass393.15
IUPAC Name3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine
SMILESCc1cn(-c2ccnc3nc(-c4[nH]nc5ncc(-c6cccnc6)cc45)[nH]c23)cn1
InChIInChI=1S/C21H15N9/c1-12-10-30(11-25-12)16-4-6-23-20-18(16)26-21(27-20)17-15-7-14(9-24-19(15)29-28-17)13-3-2-5-22-8-13/h2-11H,1H3,(H,23,26,27)(H,24,28,29)
InChIKeyWDAJWYUTBNYTBW-UHFFFAOYSA-N
XLogP3.45
TPSA113.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine with MolForge

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Related Compounds

3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137056857
5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine
CID 145038216
N-[5-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137056095
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridine
CID 137056094
2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridine
CID 137134419
3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridine
CID 137056885
N-[5-[3-[4-(4-methylimidazol-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 136944848
2-[5-(5-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine
CID 137056878
1-[5-[4-fluoro-3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 137056496
2-(7-fluoro-5-pyridin-3-yl-2H-indazol-3-yl)-7-piperidin-1-yl-1H-imidazo[4,5-b]pyridine
CID 137134393
3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyrazin-2-yl-1H-pyrazolo[3,4-c]pyridine
CID 136937450
3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyrimidin-4-yl-2H-pyrazolo[3,4-b]pyridine
CID 150258094

Frequently Asked Questions

What is the IUPAC name of 3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine (CID 137056079) is 3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine is Cc1cn(-c2ccnc3nc(-c4[nH]nc5ncc(-c6cccnc6)cc45)[nH]c23)cn1.
What is the InChIKey of 3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is WDAJWYUTBNYTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N9/c1-12-10-30(11-25-12)16-4-6-23-20-18(16)26-21(27-20)17-15-7-14(9-24-19(15)29-28-17)13-3-2-5-22-8-13/h2-11H,1H3,(H,23,26,27)(H,24,28,29).
What are the key properties of 3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine?
3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 393.41 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137056079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).