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

C22H23N5O — CID 137634328

IUPAC3-ethyl-4-[3-(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol
SMILESCCC1=C(C=CC(=C1)O)C2=CC3=C(C=C2)C(=NN3)C4=NC5=C(N4)CN(CC5)C
InChIInChI=1S/C22H23N5O/c1-3-13-10-15(28)5-7-16(13)14-4-6-17-19(11-14)25-26-21(17)22-23-18-8-9-27(2)12-20(18)24-22/h4-7,10-11,28H,3,8-9,12H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyQDWOYBVROAQKIS-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.40
Rot. Bonds3

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

3-ethyl-4-[3-(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol (PubChem CID 137634328) has the molecular formula C22H23N5O and a molecular weight of 373.50 g/mol. Its IUPAC name is 3-ethyl-4-[3-(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol.

Molecular Properties

Compound Name3-ethyl-4-[3-(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol
PubChem CID137634328
Molecular FormulaC22H23N5O
Molecular Weight373.50 g/mol
Exact Mass373.19
IUPAC Name3-ethyl-4-[3-(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol
SMILESCCC1=C(C=CC(=C1)O)C2=CC3=C(C=C2)C(=NN3)C4=NC5=C(N4)CN(CC5)C
InChIInChI=1S/C22H23N5O/c1-3-13-10-15(28)5-7-16(13)14-4-6-17-19(11-14)25-26-21(17)22-23-18-8-9-27(2)12-20(18)24-22/h4-7,10-11,28H,3,8-9,12H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyQDWOYBVROAQKIS-UHFFFAOYSA-N
XLogP3.40
TPSA80.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity547

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

PF-06263276
CID 135567296
PF-1367550
CID 135567293
4-(3-(1H-Benzimidazol-2-YL)-1H-indazol-6-YL)-2-methoxyphenol
CID 135446004
Indazole-benzimidazole, 1
CID 135839312
{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
Indazole-benzimidazole, 12
CID 135928479
3-ethyl-4-[3-(1H-imidazol-2-yl)-1H-indazol-6-yl]phenol
CID 137645020

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[3-(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol?
The IUPAC name of 3-ethyl-4-[3-(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol (CID 137634328) is 3-ethyl-4-[3-(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol.
What is the SMILES notation for 3-ethyl-4-[3-(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol?
The canonical SMILES for 3-ethyl-4-[3-(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol is CCC1=C(C=CC(=C1)O)C2=CC3=C(C=C2)C(=NN3)C4=NC5=C(N4)CN(CC5)C.
What is the InChIKey of 3-ethyl-4-[3-(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol?
The InChIKey is QDWOYBVROAQKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-3-13-10-15(28)5-7-16(13)14-4-6-17-19(11-14)25-26-21(17)22-23-18-8-9-27(2)12-20(18)24-22/h4-7,10-11,28H,3,8-9,12H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 3-ethyl-4-[3-(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol?
3-ethyl-4-[3-(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol has a molecular weight of 373.50 g/mol, XLogP of 3.40, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[3-(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol is sourced from PubChem (CID 137634328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).