3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol

C25H17FN6O2 — CID 136937155

IUPAC3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol
SMILESCOc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(O)cc(F)c6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C25H17FN6O2/c1-34-18-8-15(11-27-12-18)13-2-3-20-19(9-13)23(32-31-20)25-29-21-4-5-28-22(24(21)30-25)14-6-16(26)10-17(33)7-14/h2-12,33H,1H3,(H,29,30)(H,31,32)
InChIKeyYHVAQMWHRAWNRB-UHFFFAOYSA-N
MW452.45 g/mol
LogP5.08
Rot. Bonds4

About 3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol

3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol (PubChem CID 136937155) has the molecular formula C25H17FN6O2 and a molecular weight of 452.45 g/mol. Its IUPAC name is 3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol.

Molecular Properties

Compound Name3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol
PubChem CID136937155
Molecular FormulaC25H17FN6O2
Molecular Weight452.45 g/mol
Exact Mass452.14
IUPAC Name3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol
SMILESCOc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(O)cc(F)c6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C25H17FN6O2/c1-34-18-8-15(11-27-12-18)13-2-3-20-19(9-13)23(32-31-20)25-29-21-4-5-28-22(24(21)30-25)14-6-16(26)10-17(33)7-14/h2-12,33H,1H3,(H,29,30)(H,31,32)
InChIKeyYHVAQMWHRAWNRB-UHFFFAOYSA-N
XLogP5.08
TPSA112.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.45
LogP ≤ 55.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-((4-Fluoro-2-methyl-1H-indol-5-yl)oxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-ol
CID 9948660
4-[8-Methoxy-2-[(1-methylpyrazol-4-yl)amino]quinazolin-6-yl]phenol
CID 162423119
6-[(1S)-1-[8-fluoro-6-(1-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methoxyquinoline
CID 118732961
(S)-1-(1H-indol-3-yl)-3-(5-(3-morpholino-1H-indazol-5-yl)pyridin-3-yloxy)propan-2-amine
CID 10238690
4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methyl-6-(3-(piperidin-1-yl)propoxy)pyrrolo[2,1-f][1,2,4]triazine
CID 11575755
[7-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridin-5-yl]methanol
CID 42634230
3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(3,4,5-trifluorophenyl)propyl]-2,4,5,6-tetrahydropyrazolo[3,4-b]pyridine
CID 50898349
7-[1-(4-Fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2,4,5,6-tetrahydropyrazolo[3,4-b]pyridine
CID 53316730
3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1R)-1-(3,4,5-trifluorophenyl)propyl]-2,4,5,6-tetrahydropyrazolo[3,4-b]pyridine
CID 53319366
3-[3-Methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[1-(3,4,5-trifluorophenyl)propyl]-2,4,5,6-tetrahydropyrazolo[3,4-b]pyridine
CID 53324650
3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 135223478
3-(4-fluoro-1H-indazol-5-yl)-6-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 135227299

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol?
The IUPAC name of 3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol (CID 136937155) is 3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol.
What is the SMILES notation for 3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol?
The canonical SMILES for 3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol is COc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(O)cc(F)c6)nccc5[nH]4)c3c2)c1.
What is the InChIKey of 3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol?
The InChIKey is YHVAQMWHRAWNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN6O2/c1-34-18-8-15(11-27-12-18)13-2-3-20-19(9-13)23(32-31-20)25-29-21-4-5-28-22(24(21)30-25)14-6-16(26)10-17(33)7-14/h2-12,33H,1H3,(H,29,30)(H,31,32).
What are the key properties of 3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol?
3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol has a molecular weight of 452.45 g/mol, XLogP of 5.08, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenol is sourced from PubChem (CID 136937155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).