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

C25H27FN6O — CID 137223927

IUPAC4-[3-[5-(azetidin-2-ylmethyl)-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(CC3CCN3)CC4)n[nH]c2c1
InChIInChI=1S/C25H27FN6O/c1-2-14-10-23(33)19(26)11-18(14)15-3-4-17-21(9-15)30-31-24(17)25-28-20-6-8-32(13-22(20)29-25)12-16-5-7-27-16/h3-4,9-11,16,27,33H,2,5-8,12-13H2,1H3,(H,28,29)(H,30,31)
InChIKeyMTDHHTUHTIDPFQ-UHFFFAOYSA-N
MW446.53 g/mol
LogP3.75
Rot. Bonds5

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

4-[3-[5-(azetidin-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]-5-ethyl-2-fluorophenol (PubChem CID 137223927) has the molecular formula C25H27FN6O and a molecular weight of 446.53 g/mol. Its IUPAC name is 4-[3-[5-(azetidin-2-ylmethyl)-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-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]-5-ethyl-2-fluorophenol
PubChem CID137223927
Molecular FormulaC25H27FN6O
Molecular Weight446.53 g/mol
Exact Mass446.22
IUPAC Name4-[3-[5-(azetidin-2-ylmethyl)-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(CC3CCN3)CC4)n[nH]c2c1
InChIInChI=1S/C25H27FN6O/c1-2-14-10-23(33)19(26)11-18(14)15-3-4-17-21(9-15)30-31-24(17)25-28-20-6-8-32(13-22(20)29-25)12-16-5-7-27-16/h3-4,9-11,16,27,33H,2,5-8,12-13H2,1H3,(H,28,29)(H,30,31)
InChIKeyMTDHHTUHTIDPFQ-UHFFFAOYSA-N
XLogP3.75
TPSA92.86 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 53.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-[3-[5-(azetidin-2-ylmethyl)-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

PF-1367550
CID 135567293
{2-[6-(2-Ethyl-5-fluoro-4-hydroxy-phenyl)-1H-indazol-3-yl]-1,4,6,7-tetrahydro-imidazo[4,5-c]pyridin-5-yl}-(4-fluoro-phenyl)-methanone
CID 136263939
1-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 137656346
Nezulcitinib
CID 146421275
2-methoxy-4-{3-[4-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-indazol-6-yl}phenol
CID 135928471
Indazole-benzimidazole, 4
CID 135928472
Indazole-benzimidazole, 5
CID 135928473
3-ethyl-4-[3-(1H-imidazol-2-yl)-1H-indazol-6-yl]phenol
CID 137645020
4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-5-ethyl-2-fluorophenol
CID 137657080
4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-3-methylphenol
CID 135779185
3-1H-Benzoimidazol-2-yl-6-(3-hydroxyphenyl)-1H-indazole
CID 135839328
4-[3-(5-benzyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-5-ethyl-2-fluorophenol
CID 137223928

Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-(azetidin-2-ylmethyl)-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-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]-5-ethyl-2-fluorophenol (CID 137223927) is 4-[3-[5-(azetidin-2-ylmethyl)-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-2-ylmethyl)-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-2-ylmethyl)-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(CC3CCN3)CC4)n[nH]c2c1.
What is the InChIKey of 4-[3-[5-(azetidin-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]-5-ethyl-2-fluorophenol?
The InChIKey is MTDHHTUHTIDPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O/c1-2-14-10-23(33)19(26)11-18(14)15-3-4-17-21(9-15)30-31-24(17)25-28-20-6-8-32(13-22(20)29-25)12-16-5-7-27-16/h3-4,9-11,16,27,33H,2,5-8,12-13H2,1H3,(H,28,29)(H,30,31).
What are the key properties of 4-[3-[5-(azetidin-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]-5-ethyl-2-fluorophenol?
4-[3-[5-(azetidin-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]-5-ethyl-2-fluorophenol has a molecular weight of 446.53 g/mol, XLogP of 3.75, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-(azetidin-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]-5-ethyl-2-fluorophenol is sourced from PubChem (CID 137223927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).