3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine

C30H26FN7 — CID 137057302

IUPAC3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
SMILESFc1cccc(-c2cccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(CN7CCCCC7)c6)cc45)nc23)c1
InChIInChI=1S/C30H26FN7/c31-22-7-4-6-20(13-22)23-8-5-9-25-28(23)35-30(34-25)29-24-14-26(33-17-27(24)36-37-29)21-12-19(15-32-16-21)18-38-10-2-1-3-11-38/h4-9,12-17H,1-3,10-11,18H2,(H,34,35)(H,36,37)
InChIKeyRQBLZAGEMYVQTL-UHFFFAOYSA-N
MW503.59 g/mol
LogP6.36
Rot. Bonds5

About 3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine

3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine (PubChem CID 137057302) has the molecular formula C30H26FN7 and a molecular weight of 503.59 g/mol. Its IUPAC name is 3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
PubChem CID137057302
Molecular FormulaC30H26FN7
Molecular Weight503.59 g/mol
Exact Mass503.22
IUPAC Name3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
SMILESFc1cccc(-c2cccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(CN7CCCCC7)c6)cc45)nc23)c1
InChIInChI=1S/C30H26FN7/c31-22-7-4-6-20(13-22)23-8-5-9-25-28(23)35-30(34-25)29-24-14-26(33-17-27(24)36-37-29)21-12-19(15-32-16-21)18-38-10-2-1-3-11-38/h4-9,12-17H,1-3,10-11,18H2,(H,34,35)(H,36,37)
InChIKeyRQBLZAGEMYVQTL-UHFFFAOYSA-N
XLogP6.36
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.59
LogP ≤ 56.36
H-Bond Donors ≤ 52
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-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 136946420
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridine
CID 136943274
3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
CID 137038872
4-fluoro-3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 136942494
3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
CID 137110420
3-[3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]-N,N-dimethylpropan-1-amine
CID 145037863
2-[5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;1-[[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]piperidin-4-ol;7-(3-fluorophenyl)-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;7-(3-fluorophenyl)-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine
CID 159580150
3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol
CID 137174364
4-fluoro-3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 136943785
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137102866
7-(3-fluorophenyl)-2-[6-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine
CID 137134681

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine (CID 137057302) is 3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine is Fc1cccc(-c2cccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(CN7CCCCC7)c6)cc45)nc23)c1.
What is the InChIKey of 3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is RQBLZAGEMYVQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN7/c31-22-7-4-6-20(13-22)23-8-5-9-25-28(23)35-30(34-25)29-24-14-26(33-17-27(24)36-37-29)21-12-19(15-32-16-21)18-38-10-2-1-3-11-38/h4-9,12-17H,1-3,10-11,18H2,(H,34,35)(H,36,37).
What are the key properties of 3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 503.59 g/mol, XLogP of 6.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 137057302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).