3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine

C23H20FN7 — CID 137054944

IUPAC3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine
SMILESFc1cccc(-c2nccc3[nH]c(-c4[nH]nc5ncc(C6CCNCC6)cc45)nc23)c1
InChIInChI=1S/C23H20FN7/c24-16-3-1-2-14(10-16)19-21-18(6-9-26-19)28-23(29-21)20-17-11-15(12-27-22(17)31-30-20)13-4-7-25-8-5-13/h1-3,6,9-13,25H,4-5,7-8H2,(H,28,29)(H,27,30,31)
InChIKeyCHRJQHVTXYISEE-UHFFFAOYSA-N
MW413.46 g/mol
LogP4.17
Rot. Bonds3

About 3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine

3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137054944) has the molecular formula C23H20FN7 and a molecular weight of 413.46 g/mol. Its IUPAC name is 3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine
PubChem CID137054944
Molecular FormulaC23H20FN7
Molecular Weight413.46 g/mol
Exact Mass413.18
IUPAC Name3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine
SMILESFc1cccc(-c2nccc3[nH]c(-c4[nH]nc5ncc(C6CCNCC6)cc45)nc23)c1
InChIInChI=1S/C23H20FN7/c24-16-3-1-2-14(10-16)19-21-18(6-9-26-19)28-23(29-21)20-17-11-15(12-27-22(17)31-30-20)13-4-7-25-8-5-13/h1-3,6,9-13,25H,4-5,7-8H2,(H,28,29)(H,27,30,31)
InChIKeyCHRJQHVTXYISEE-UHFFFAOYSA-N
XLogP4.17
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine
CID 137145128
1-[5-[3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 137054981
1-[3-fluoro-5-[2-[5-[5-(piperidin-4-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N-methylmethanamine
CID 145038763
3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 145038274
4-(3-fluorophenyl)-2-(7-fluoro-5-pyrimidin-5-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine
CID 136935540
ethane;ethene;1-[3-fluoro-5-[2-[5-[5-(piperidin-4-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N-methylmethanamine
CID 145038762
3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 136945504
3-fluoro-5-[2-(5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenol
CID 136945890
4-pyridin-2-yl-2-(5-pyridin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-imidazo[4,5-c]pyridine
CID 136945578
3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 136945567
3-[4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
CID 136945916
2-(5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
CID 137056912

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine (CID 137054944) is 3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine is Fc1cccc(-c2nccc3[nH]c(-c4[nH]nc5ncc(C6CCNCC6)cc45)nc23)c1.
What is the InChIKey of 3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is CHRJQHVTXYISEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN7/c24-16-3-1-2-14(10-16)19-21-18(6-9-26-19)28-23(29-21)20-17-11-15(12-27-22(17)31-30-20)13-4-7-25-8-5-13/h1-3,6,9-13,25H,4-5,7-8H2,(H,28,29)(H,27,30,31).
What are the key properties of 3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine?
3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 413.46 g/mol, XLogP of 4.17, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137054944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).