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

C33H37FN6O2 — CID 91669307

IUPAC5-ethyl-2-fluoro-4-[3-[5-[(6-phenoxy-3-pyridinyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-6-yl]phenol
SMILESCCc1cc(O)c(F)cc1C1CCC2C(C1)NNC2c1nc2c([nH]1)CN(Cc1ccc(Oc3ccccc3)nc1)CC2
InChIInChI=1S/C33H37FN6O2/c1-2-21-15-30(41)26(34)16-25(21)22-9-10-24-28(14-22)38-39-32(24)33-36-27-12-13-40(19-29(27)37-33)18-20-8-11-31(35-17-20)42-23-6-4-3-5-7-23/h3-8,11,15-17,22,24,28,32,38-39,41H,2,9-10,12-14,18-19H2,1H3,(H,36,37)
InChIKeyHQJLYKRUEUHPLF-UHFFFAOYSA-N
MW568.70 g/mol
LogP5.66
Rot. Bonds7

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

5-ethyl-2-fluoro-4-[3-[5-[(6-phenoxy-3-pyridinyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-6-yl]phenol (PubChem CID 91669307) has the molecular formula C33H37FN6O2 and a molecular weight of 568.70 g/mol. Its IUPAC name is 5-ethyl-2-fluoro-4-[3-[5-[(6-phenoxy-3-pyridinyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-6-yl]phenol.

Molecular Properties

Compound Name5-ethyl-2-fluoro-4-[3-[5-[(6-phenoxy-3-pyridinyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-6-yl]phenol
PubChem CID91669307
Molecular FormulaC33H37FN6O2
Molecular Weight568.70 g/mol
Exact Mass568.30
IUPAC Name5-ethyl-2-fluoro-4-[3-[5-[(6-phenoxy-3-pyridinyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-6-yl]phenol
SMILESCCc1cc(O)c(F)cc1C1CCC2C(C1)NNC2c1nc2c([nH]1)CN(Cc1ccc(Oc3ccccc3)nc1)CC2
InChIInChI=1S/C33H37FN6O2/c1-2-21-15-30(41)26(34)16-25(21)22-9-10-24-28(14-22)38-39-32(24)33-36-27-12-13-40(19-29(27)37-33)18-20-8-11-31(35-17-20)42-23-6-4-3-5-7-23/h3-8,11,15-17,22,24,28,32,38-39,41H,2,9-10,12-14,18-19H2,1H3,(H,36,37)
InChIKeyHQJLYKRUEUHPLF-UHFFFAOYSA-N
XLogP5.66
TPSA98.33 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.70
LogP ≤ 55.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 5-ethyl-2-fluoro-4-[3-[5-[(6-phenoxy-3-pyridinyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-6-yl]phenol 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 5-ethyl-2-fluoro-4-[3-[5-[(6-phenoxy-3-pyridinyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-6-yl]phenol?
The IUPAC name of 5-ethyl-2-fluoro-4-[3-[5-[(6-phenoxy-3-pyridinyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-6-yl]phenol (CID 91669307) is 5-ethyl-2-fluoro-4-[3-[5-[(6-phenoxy-3-pyridinyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-6-yl]phenol.
What is the SMILES notation for 5-ethyl-2-fluoro-4-[3-[5-[(6-phenoxy-3-pyridinyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-6-yl]phenol?
The canonical SMILES for 5-ethyl-2-fluoro-4-[3-[5-[(6-phenoxy-3-pyridinyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-6-yl]phenol is CCc1cc(O)c(F)cc1C1CCC2C(C1)NNC2c1nc2c([nH]1)CN(Cc1ccc(Oc3ccccc3)nc1)CC2.
What is the InChIKey of 5-ethyl-2-fluoro-4-[3-[5-[(6-phenoxy-3-pyridinyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-6-yl]phenol?
The InChIKey is HQJLYKRUEUHPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37FN6O2/c1-2-21-15-30(41)26(34)16-25(21)22-9-10-24-28(14-22)38-39-32(24)33-36-27-12-13-40(19-29(27)37-33)18-20-8-11-31(35-17-20)42-23-6-4-3-5-7-23/h3-8,11,15-17,22,24,28,32,38-39,41H,2,9-10,12-14,18-19H2,1H3,(H,36,37).
What are the key properties of 5-ethyl-2-fluoro-4-[3-[5-[(6-phenoxy-3-pyridinyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-6-yl]phenol?
5-ethyl-2-fluoro-4-[3-[5-[(6-phenoxy-3-pyridinyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-6-yl]phenol has a molecular weight of 568.70 g/mol, XLogP of 5.66, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-fluoro-4-[3-[5-[(6-phenoxy-3-pyridinyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-6-yl]phenol is sourced from PubChem (CID 91669307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).