5-(1H-pyrazol-4-yl)-3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridine

C21H14N8 — CID 136942954

IUPAC5-(1H-pyrazol-4-yl)-3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridine
SMILESc1cc(-c2ccncc2)c2nc(-c3n[nH]c4cnc(-c5cn[nH]c5)cc34)[nH]c2c1
InChIInChI=1S/C21H14N8/c1-2-14(12-4-6-22-7-5-12)19-16(3-1)26-21(27-19)20-15-8-17(13-9-24-25-10-13)23-11-18(15)28-29-20/h1-11H,(H,24,25)(H,26,27)(H,28,29)
InChIKeyFDQXUUKQIIVEMU-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.95
Rot. Bonds3

About 5-(1H-pyrazol-4-yl)-3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridine

5-(1H-pyrazol-4-yl)-3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 136942954) has the molecular formula C21H14N8 and a molecular weight of 378.40 g/mol. Its IUPAC name is 5-(1H-pyrazol-4-yl)-3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-(1H-pyrazol-4-yl)-3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridine
PubChem CID136942954
Molecular FormulaC21H14N8
Molecular Weight378.40 g/mol
Exact Mass378.13
IUPAC Name5-(1H-pyrazol-4-yl)-3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridine
SMILESc1cc(-c2ccncc2)c2nc(-c3n[nH]c4cnc(-c5cn[nH]c5)cc34)[nH]c2c1
InChIInChI=1S/C21H14N8/c1-2-14(12-4-6-22-7-5-12)19-16(3-1)26-21(27-19)20-15-8-17(13-9-24-25-10-13)23-11-18(15)28-29-20/h1-11H,(H,24,25)(H,26,27)(H,28,29)
InChIKeyFDQXUUKQIIVEMU-UHFFFAOYSA-N
XLogP3.95
TPSA111.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 137057364
3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 136947328
5-(1H-pyrazol-4-yl)-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137109372
N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 137057368
3-fluoro-5-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenol
CID 136947536
5-(1H-pyrazol-4-yl)-3-(4-pyridin-4-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137114714
3-phenyl-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71253840
3-[4-(3-fluoro-5-methoxyphenyl)-1H-benzimidazol-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 136946170
2-cyclohexyl-N-[5-[3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide
CID 136942964
3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine
CID 136942394
3-fluoro-5-[2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]phenol
CID 136943288
3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 136942925

Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrazol-4-yl)-3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 5-(1H-pyrazol-4-yl)-3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridine (CID 136942954) is 5-(1H-pyrazol-4-yl)-3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 5-(1H-pyrazol-4-yl)-3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 5-(1H-pyrazol-4-yl)-3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridine is c1cc(-c2ccncc2)c2nc(-c3n[nH]c4cnc(-c5cn[nH]c5)cc34)[nH]c2c1.
What is the InChIKey of 5-(1H-pyrazol-4-yl)-3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is FDQXUUKQIIVEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N8/c1-2-14(12-4-6-22-7-5-12)19-16(3-1)26-21(27-19)20-15-8-17(13-9-24-25-10-13)23-11-18(15)28-29-20/h1-11H,(H,24,25)(H,26,27)(H,28,29).
What are the key properties of 5-(1H-pyrazol-4-yl)-3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridine?
5-(1H-pyrazol-4-yl)-3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 378.40 g/mol, XLogP of 3.95, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrazol-4-yl)-3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 136942954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).