3-ethyl-4-[7-fluoro-3-[5-[(2S)-1-(2-hydroxyethyl)-2-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol

C26H28FN5O2 — CID 166552366

IUPAC3-ethyl-4-[7-fluoro-3-[5-[(2S)-1-(2-hydroxyethyl)-2-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol
SMILESCCc1cc(O)ccc1-c1ccc2c(-c3ncc(C4=CC[C@H](C)N(CCO)C4)[nH]3)[nH]nc2c1F
InChIInChI=1S/C26H28FN5O2/c1-3-16-12-18(34)6-7-19(16)20-8-9-21-24(23(20)27)30-31-25(21)26-28-13-22(29-26)17-5-4-15(2)32(14-17)10-11-33/h5-9,12-13,15,33-34H,3-4,10-11,14H2,1-2H3,(H,28,29)(H,30,31)/t15-/m0/s1
InChIKeyCYDNNUSCPDVNOY-HNNXBMFYSA-N
MW461.54 g/mol
LogP4.50
Rot. Bonds6

About 3-ethyl-4-[7-fluoro-3-[5-[(2S)-1-(2-hydroxyethyl)-2-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol

3-ethyl-4-[7-fluoro-3-[5-[(2S)-1-(2-hydroxyethyl)-2-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol (PubChem CID 166552366) has the molecular formula C26H28FN5O2 and a molecular weight of 461.54 g/mol. Its IUPAC name is 3-ethyl-4-[7-fluoro-3-[5-[(2S)-1-(2-hydroxyethyl)-2-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol.

Molecular Properties

Compound Name3-ethyl-4-[7-fluoro-3-[5-[(2S)-1-(2-hydroxyethyl)-2-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol
PubChem CID166552366
Molecular FormulaC26H28FN5O2
Molecular Weight461.54 g/mol
Exact Mass461.22
IUPAC Name3-ethyl-4-[7-fluoro-3-[5-[(2S)-1-(2-hydroxyethyl)-2-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol
SMILESCCc1cc(O)ccc1-c1ccc2c(-c3ncc(C4=CC[C@H](C)N(CCO)C4)[nH]3)[nH]nc2c1F
InChIInChI=1S/C26H28FN5O2/c1-3-16-12-18(34)6-7-19(16)20-8-9-21-24(23(20)27)30-31-25(21)26-28-13-22(29-26)17-5-4-15(2)32(14-17)10-11-33/h5-9,12-13,15,33-34H,3-4,10-11,14H2,1-2H3,(H,28,29)(H,30,31)/t15-/m0/s1
InChIKeyCYDNNUSCPDVNOY-HNNXBMFYSA-N
XLogP4.50
TPSA101.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 54.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-4-[7-fluoro-3-[5-[(2S)-1-(2-hydroxyethyl)-2-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-imidazol-2-yl]-2H-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 3-ethyl-4-[7-fluoro-3-[5-[(2S)-1-(2-hydroxyethyl)-2-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol?
The IUPAC name of 3-ethyl-4-[7-fluoro-3-[5-[(2S)-1-(2-hydroxyethyl)-2-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol (CID 166552366) is 3-ethyl-4-[7-fluoro-3-[5-[(2S)-1-(2-hydroxyethyl)-2-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol.
What is the SMILES notation for 3-ethyl-4-[7-fluoro-3-[5-[(2S)-1-(2-hydroxyethyl)-2-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol?
The canonical SMILES for 3-ethyl-4-[7-fluoro-3-[5-[(2S)-1-(2-hydroxyethyl)-2-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol is CCc1cc(O)ccc1-c1ccc2c(-c3ncc(C4=CC[C@H](C)N(CCO)C4)[nH]3)[nH]nc2c1F.
What is the InChIKey of 3-ethyl-4-[7-fluoro-3-[5-[(2S)-1-(2-hydroxyethyl)-2-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol?
The InChIKey is CYDNNUSCPDVNOY-HNNXBMFYSA-N. The full InChI is InChI=1S/C26H28FN5O2/c1-3-16-12-18(34)6-7-19(16)20-8-9-21-24(23(20)27)30-31-25(21)26-28-13-22(29-26)17-5-4-15(2)32(14-17)10-11-33/h5-9,12-13,15,33-34H,3-4,10-11,14H2,1-2H3,(H,28,29)(H,30,31)/t15-/m0/s1.
What are the key properties of 3-ethyl-4-[7-fluoro-3-[5-[(2S)-1-(2-hydroxyethyl)-2-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol?
3-ethyl-4-[7-fluoro-3-[5-[(2S)-1-(2-hydroxyethyl)-2-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol has a molecular weight of 461.54 g/mol, XLogP of 4.50, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[7-fluoro-3-[5-[(2S)-1-(2-hydroxyethyl)-2-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol is sourced from PubChem (CID 166552366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).