3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine

C21H17N9 — CID 139424388

IUPAC3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine
SMILESCc1cn(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cnn(C)c6)nc45)nc23)cn1
InChIInChI=1S/C21H17N9/c1-12-9-30(11-22-12)17-5-3-4-15-18(17)26-21(25-15)20-19-16(27-28-20)7-6-14(24-19)13-8-23-29(2)10-13/h3-11H,1-2H3,(H,25,26)(H,27,28)
InChIKeySOYAQTZMEINVNF-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.40
Rot. Bonds3

About 3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine

3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine (PubChem CID 139424388) has the molecular formula C21H17N9 and a molecular weight of 395.43 g/mol. Its IUPAC name is 3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine
PubChem CID139424388
Molecular FormulaC21H17N9
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine
SMILESCc1cn(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cnn(C)c6)nc45)nc23)cn1
InChIInChI=1S/C21H17N9/c1-12-9-30(11-22-12)17-5-3-4-15-18(17)26-21(25-15)20-19-16(27-28-20)7-6-14(24-19)13-8-23-29(2)10-13/h3-11H,1-2H3,(H,25,26)(H,27,28)
InChIKeySOYAQTZMEINVNF-UHFFFAOYSA-N
XLogP3.40
TPSA105.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
CID 137109080
3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
CID 137109702
2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-pyridin-3-yl-1H-imidazo[4,5-c]pyridine
CID 137038844
5-(1-methylpyrazol-4-yl)-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137109356
[1-methyl-4-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazol-3-yl]methanol
CID 137110413
5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
CID 137311976
3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine
CID 137057439
2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-7-piperidin-1-yl-3H-imidazo[4,5-c]pyridine
CID 137110383
4-(4-methylimidazol-1-yl)-2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 136936859
3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137109942
5-(5-methoxy-3-pyridinyl)-3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridine
CID 136943014
N-(3-methylbut-1-en-2-yl)-5-[3-[7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 145249240

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine (CID 139424388) is 3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine is Cc1cn(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cnn(C)c6)nc45)nc23)cn1.
What is the InChIKey of 3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine?
The InChIKey is SOYAQTZMEINVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N9/c1-12-9-30(11-22-12)17-5-3-4-15-18(17)26-21(25-15)20-19-16(27-28-20)7-6-14(24-19)13-8-23-29(2)10-13/h3-11H,1-2H3,(H,25,26)(H,27,28).
What are the key properties of 3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine?
3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 395.43 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylimidazol-1-yl)-1H-benzimidazol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 139424388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).