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

C25H27FN6O — CID 137223935

IUPAC4-[3-[5-(3-aminocyclobutyl)-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(C3CC(N)C3)CC4)n[nH]c2c1
InChIInChI=1S/C25H27FN6O/c1-2-13-8-23(33)19(26)11-18(13)14-3-4-17-21(7-14)30-31-24(17)25-28-20-5-6-32(12-22(20)29-25)16-9-15(27)10-16/h3-4,7-8,11,15-16,33H,2,5-6,9-10,12,27H2,1H3,(H,28,29)(H,30,31)
InChIKeyCCBHKZMHZXFUBO-UHFFFAOYSA-N
MW446.53 g/mol
LogP3.87
Rot. Bonds4

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

4-[3-[5-(3-aminocyclobutyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]-5-ethyl-2-fluorophenol (PubChem CID 137223935) has the molecular formula C25H27FN6O and a molecular weight of 446.53 g/mol. Its IUPAC name is 4-[3-[5-(3-aminocyclobutyl)-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-(3-aminocyclobutyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]-5-ethyl-2-fluorophenol
PubChem CID137223935
Molecular FormulaC25H27FN6O
Molecular Weight446.53 g/mol
Exact Mass446.22
IUPAC Name4-[3-[5-(3-aminocyclobutyl)-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(C3CC(N)C3)CC4)n[nH]c2c1
InChIInChI=1S/C25H27FN6O/c1-2-13-8-23(33)19(26)11-18(13)14-3-4-17-21(7-14)30-31-24(17)25-28-20-5-6-32(12-22(20)29-25)16-9-15(27)10-16/h3-4,7-8,11,15-16,33H,2,5-6,9-10,12,27H2,1H3,(H,28,29)(H,30,31)
InChIKeyCCBHKZMHZXFUBO-UHFFFAOYSA-N
XLogP3.87
TPSA106.85 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 53.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-(3-aminocyclobutyl)-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-(3-aminocyclobutyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]-5-ethyl-2-fluorophenol (CID 137223935) is 4-[3-[5-(3-aminocyclobutyl)-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-(3-aminocyclobutyl)-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-(3-aminocyclobutyl)-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(C3CC(N)C3)CC4)n[nH]c2c1.
What is the InChIKey of 4-[3-[5-(3-aminocyclobutyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]-5-ethyl-2-fluorophenol?
The InChIKey is CCBHKZMHZXFUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O/c1-2-13-8-23(33)19(26)11-18(13)14-3-4-17-21(7-14)30-31-24(17)25-28-20-5-6-32(12-22(20)29-25)16-9-15(27)10-16/h3-4,7-8,11,15-16,33H,2,5-6,9-10,12,27H2,1H3,(H,28,29)(H,30,31).
What are the key properties of 4-[3-[5-(3-aminocyclobutyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]-5-ethyl-2-fluorophenol?
4-[3-[5-(3-aminocyclobutyl)-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 3.87, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-(3-aminocyclobutyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]-5-ethyl-2-fluorophenol is sourced from PubChem (CID 137223935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).