4-[3-[5-(azetidin-3-yl)-6-(hydroxymethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]-5-ethyl-2-fluorophenol

C25H27FN6O2 — CID 137302039

IUPAC4-[3-[5-(azetidin-3-yl)-6-(hydroxymethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]-5-ethyl-2-fluorophenol
SMILESCCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CN(C3CNC3)C(CO)C4)n[nH]c2c1
InChIInChI=1S/C25H27FN6O2/c1-2-13-6-23(34)19(26)8-18(13)14-3-4-17-20(5-14)30-31-24(17)25-28-21-7-15(12-33)32(11-22(21)29-25)16-9-27-10-16/h3-6,8,15-16,27,33-34H,2,7,9-12H2,1H3,(H,28,29)(H,30,31)
InChIKeyPQMYFBNQKIDKKG-UHFFFAOYSA-N
MW462.53 g/mol
LogP2.72
Rot. Bonds5

About 4-[3-[5-(azetidin-3-yl)-6-(hydroxymethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]-5-ethyl-2-fluorophenol

4-[3-[5-(azetidin-3-yl)-6-(hydroxymethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]-5-ethyl-2-fluorophenol (PubChem CID 137302039) has the molecular formula C25H27FN6O2 and a molecular weight of 462.53 g/mol. Its IUPAC name is 4-[3-[5-(azetidin-3-yl)-6-(hydroxymethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]-5-ethyl-2-fluorophenol.

Molecular Properties

Compound Name4-[3-[5-(azetidin-3-yl)-6-(hydroxymethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]-5-ethyl-2-fluorophenol
PubChem CID137302039
Molecular FormulaC25H27FN6O2
Molecular Weight462.53 g/mol
Exact Mass462.22
IUPAC Name4-[3-[5-(azetidin-3-yl)-6-(hydroxymethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]-5-ethyl-2-fluorophenol
SMILESCCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CN(C3CNC3)C(CO)C4)n[nH]c2c1
InChIInChI=1S/C25H27FN6O2/c1-2-13-6-23(34)19(26)8-18(13)14-3-4-17-20(5-14)30-31-24(17)25-28-21-7-15(12-33)32(11-22(21)29-25)16-9-27-10-16/h3-6,8,15-16,27,33-34H,2,7,9-12H2,1H3,(H,28,29)(H,30,31)
InChIKeyPQMYFBNQKIDKKG-UHFFFAOYSA-N
XLogP2.72
TPSA113.09 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 52.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 4-[3-[5-(azetidin-3-yl)-6-(hydroxymethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]-5-ethyl-2-fluorophenol with MolForge

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Related Compounds

(6S)-5-ethyl-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 137302007
5-ethyl-2-fluoro-4-[3-[5-(4-hydroxycyclohexyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-2-yl]-1H-indazol-6-yl]phenol
CID 154689253
4-[3-[5-(2-aminoethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]-5-ethyl-2-fluorophenol
CID 137226788
2-cyclopropyl-1-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]ethanone
CID 154689200
5-ethyl-2-fluoro-4-[3-[5-[2-(2,2,3,3-tetramethylazetidin-1-yl)ethyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]phenol
CID 137243682
[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 154689237
[(1S,5R)-2-azabicyclo[3.1.0]hexan-1-yl]-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 146563090
CID 154689138
CID 154689138
5-ethyl-2-fluoro-4-[3-[5-[2-(2,3,3,4-tetramethylpyrrolidin-1-yl)ethyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]phenol
CID 137243681
N-[2-[[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]sulfonylamino]ethyl]formamide
CID 146357214
[3-(dimethylamino)azetidin-1-yl]-[(6S)-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone
CID 137302029
2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-N-(oxolan-3-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide
CID 154689160

Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-(azetidin-3-yl)-6-(hydroxymethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]-5-ethyl-2-fluorophenol?
The IUPAC name of 4-[3-[5-(azetidin-3-yl)-6-(hydroxymethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]-5-ethyl-2-fluorophenol (CID 137302039) is 4-[3-[5-(azetidin-3-yl)-6-(hydroxymethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]-5-ethyl-2-fluorophenol.
What is the SMILES notation for 4-[3-[5-(azetidin-3-yl)-6-(hydroxymethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]-5-ethyl-2-fluorophenol?
The canonical SMILES for 4-[3-[5-(azetidin-3-yl)-6-(hydroxymethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]-5-ethyl-2-fluorophenol is CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CN(C3CNC3)C(CO)C4)n[nH]c2c1.
What is the InChIKey of 4-[3-[5-(azetidin-3-yl)-6-(hydroxymethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]-5-ethyl-2-fluorophenol?
The InChIKey is PQMYFBNQKIDKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O2/c1-2-13-6-23(34)19(26)8-18(13)14-3-4-17-20(5-14)30-31-24(17)25-28-21-7-15(12-33)32(11-22(21)29-25)16-9-27-10-16/h3-6,8,15-16,27,33-34H,2,7,9-12H2,1H3,(H,28,29)(H,30,31).
What are the key properties of 4-[3-[5-(azetidin-3-yl)-6-(hydroxymethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]-5-ethyl-2-fluorophenol?
4-[3-[5-(azetidin-3-yl)-6-(hydroxymethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]-5-ethyl-2-fluorophenol has a molecular weight of 462.53 g/mol, XLogP of 2.72, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-(azetidin-3-yl)-6-(hydroxymethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]-5-ethyl-2-fluorophenol is sourced from PubChem (CID 137302039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).