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

C23H14FN7 — CID 137109052

IUPAC3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine
SMILESFc1ccccc1-c1cccc2[nH]c(-c3n[nH]c4ccc(-c5cncnc5)nc34)nc12
InChIInChI=1S/C23H14FN7/c24-16-6-2-1-4-14(16)15-5-3-7-18-20(15)29-23(28-18)22-21-19(30-31-22)9-8-17(27-21)13-10-25-12-26-11-13/h1-12H,(H,28,29)(H,30,31)
InChIKeyISBDVSBQJDFNMT-UHFFFAOYSA-N
MW407.41 g/mol
LogP4.76
Rot. Bonds3

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

3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137109052) has the molecular formula C23H14FN7 and a molecular weight of 407.41 g/mol. Its IUPAC name is 3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine
PubChem CID137109052
Molecular FormulaC23H14FN7
Molecular Weight407.41 g/mol
Exact Mass407.13
IUPAC Name3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine
SMILESFc1ccccc1-c1cccc2[nH]c(-c3n[nH]c4ccc(-c5cncnc5)nc34)nc12
InChIInChI=1S/C23H14FN7/c24-16-6-2-1-4-14(16)15-5-3-7-18-20(15)29-23(28-18)22-21-19(30-31-22)9-8-17(27-21)13-10-25-12-26-11-13/h1-12H,(H,28,29)(H,30,31)
InChIKeyISBDVSBQJDFNMT-UHFFFAOYSA-N
XLogP4.76
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.41
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(3-fluoro-5-methoxyphenyl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine
CID 137087522
5-pyridin-3-yl-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137109752
N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 137109066
5-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
CID 137109495
5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 137109284
5-pyridin-4-yl-3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137109491
5-(1H-pyrazol-4-yl)-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137109372
3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
CID 137110128
3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine
CID 137038810
5-pyridin-3-yl-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 139424393
3-[2-[5-(5-amino-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenol
CID 137087339
2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
CID 137110531

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine (CID 137109052) is 3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine is Fc1ccccc1-c1cccc2[nH]c(-c3n[nH]c4ccc(-c5cncnc5)nc34)nc12.
What is the InChIKey of 3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine?
The InChIKey is ISBDVSBQJDFNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14FN7/c24-16-6-2-1-4-14(16)15-5-3-7-18-20(15)29-23(28-18)22-21-19(30-31-22)9-8-17(27-21)13-10-25-12-26-11-13/h1-12H,(H,28,29)(H,30,31).
What are the key properties of 3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine?
3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 407.41 g/mol, XLogP of 4.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137109052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).