4-(3-fluorophenyl)-2-(7-fluoro-5-pyrimidin-5-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine

C23H13F2N7 — CID 136935540

IUPAC4-(3-fluorophenyl)-2-(7-fluoro-5-pyrimidin-5-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine
SMILESFc1cccc(-c2nccc3[nH]c(-c4[nH]nc5c(F)cc(-c6cncnc6)cc45)nc23)c1
InChIInChI=1S/C23H13F2N7/c24-15-3-1-2-12(6-15)19-22-18(4-5-28-19)29-23(30-22)21-16-7-13(14-9-26-11-27-10-14)8-17(25)20(16)31-32-21/h1-11H,(H,29,30)(H,31,32)
InChIKeyIIAYELHWTKJSDP-UHFFFAOYSA-N
MW425.40 g/mol
LogP4.90
Rot. Bonds3

About 4-(3-fluorophenyl)-2-(7-fluoro-5-pyrimidin-5-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine

4-(3-fluorophenyl)-2-(7-fluoro-5-pyrimidin-5-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine (PubChem CID 136935540) has the molecular formula C23H13F2N7 and a molecular weight of 425.40 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-2-(7-fluoro-5-pyrimidin-5-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(3-fluorophenyl)-2-(7-fluoro-5-pyrimidin-5-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine
PubChem CID136935540
Molecular FormulaC23H13F2N7
Molecular Weight425.40 g/mol
Exact Mass425.12
IUPAC Name4-(3-fluorophenyl)-2-(7-fluoro-5-pyrimidin-5-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine
SMILESFc1cccc(-c2nccc3[nH]c(-c4[nH]nc5c(F)cc(-c6cncnc6)cc45)nc23)c1
InChIInChI=1S/C23H13F2N7/c24-15-3-1-2-12(6-15)19-22-18(4-5-28-19)29-23(30-22)21-16-7-13(14-9-26-11-27-10-14)8-17(25)20(16)31-32-21/h1-11H,(H,29,30)(H,31,32)
InChIKeyIIAYELHWTKJSDP-UHFFFAOYSA-N
XLogP4.90
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.40
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(7-fluoro-5-pyrimidin-5-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine
CID 147264440
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
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
5-[7-fluoro-3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-N,N-dimethylpyridin-3-amine
CID 136935571
4-(4-fluorophenyl)-2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 136935553
3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine
CID 137054944
5-[7-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-N,N-dimethylpyridin-3-amine
CID 136935829
1-[[5-[7-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]butan-1-ol
CID 137255131
1-[[5-[7-fluoro-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]pentan-1-ol
CID 137284252
3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
CID 136945840
4-(2-fluorophenyl)-2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 136935579
N-[5-[7-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 136935635

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-2-(7-fluoro-5-pyrimidin-5-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 4-(3-fluorophenyl)-2-(7-fluoro-5-pyrimidin-5-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine (CID 136935540) is 4-(3-fluorophenyl)-2-(7-fluoro-5-pyrimidin-5-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 4-(3-fluorophenyl)-2-(7-fluoro-5-pyrimidin-5-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 4-(3-fluorophenyl)-2-(7-fluoro-5-pyrimidin-5-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine is Fc1cccc(-c2nccc3[nH]c(-c4[nH]nc5c(F)cc(-c6cncnc6)cc45)nc23)c1.
What is the InChIKey of 4-(3-fluorophenyl)-2-(7-fluoro-5-pyrimidin-5-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine?
The InChIKey is IIAYELHWTKJSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13F2N7/c24-15-3-1-2-12(6-15)19-22-18(4-5-28-19)29-23(30-22)21-16-7-13(14-9-26-11-27-10-14)8-17(25)20(16)31-32-21/h1-11H,(H,29,30)(H,31,32).
What are the key properties of 4-(3-fluorophenyl)-2-(7-fluoro-5-pyrimidin-5-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine?
4-(3-fluorophenyl)-2-(7-fluoro-5-pyrimidin-5-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine has a molecular weight of 425.40 g/mol, XLogP of 4.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-2-(7-fluoro-5-pyrimidin-5-yl-2H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136935540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).