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

C25H26FN5O — CID 166552459

IUPAC3-ethyl-4-[3-[5-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-imidazol-2-yl]-7-fluoro-2H-indazol-6-yl]phenol
SMILESCCc1cc(O)ccc1-c1ccc2c(-c3ncc(C4=CCN(CC)CC4)[nH]3)[nH]nc2c1F
InChIInChI=1S/C25H26FN5O/c1-3-15-13-17(32)5-6-18(15)19-7-8-20-23(22(19)26)29-30-24(20)25-27-14-21(28-25)16-9-11-31(4-2)12-10-16/h5-9,13-14,32H,3-4,10-12H2,1-2H3,(H,27,28)(H,29,30)
InChIKeyHQJGANPDKFHMQD-UHFFFAOYSA-N
MW431.52 g/mol
LogP5.14
Rot. Bonds5

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

3-ethyl-4-[3-[5-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-imidazol-2-yl]-7-fluoro-2H-indazol-6-yl]phenol (PubChem CID 166552459) has the molecular formula C25H26FN5O and a molecular weight of 431.52 g/mol. Its IUPAC name is 3-ethyl-4-[3-[5-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-imidazol-2-yl]-7-fluoro-2H-indazol-6-yl]phenol.

Molecular Properties

Compound Name3-ethyl-4-[3-[5-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-imidazol-2-yl]-7-fluoro-2H-indazol-6-yl]phenol
PubChem CID166552459
Molecular FormulaC25H26FN5O
Molecular Weight431.52 g/mol
Exact Mass431.21
IUPAC Name3-ethyl-4-[3-[5-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-imidazol-2-yl]-7-fluoro-2H-indazol-6-yl]phenol
SMILESCCc1cc(O)ccc1-c1ccc2c(-c3ncc(C4=CCN(CC)CC4)[nH]3)[nH]nc2c1F
InChIInChI=1S/C25H26FN5O/c1-3-15-13-17(32)5-6-18(15)19-7-8-20-23(22(19)26)29-30-24(20)25-27-14-21(28-25)16-9-11-31(4-2)12-10-16/h5-9,13-14,32H,3-4,10-12H2,1-2H3,(H,27,28)(H,29,30)
InChIKeyHQJGANPDKFHMQD-UHFFFAOYSA-N
XLogP5.14
TPSA80.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.52
LogP ≤ 55.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[3-[5-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-imidazol-2-yl]-7-fluoro-2H-indazol-6-yl]phenol?
The IUPAC name of 3-ethyl-4-[3-[5-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-imidazol-2-yl]-7-fluoro-2H-indazol-6-yl]phenol (CID 166552459) is 3-ethyl-4-[3-[5-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-imidazol-2-yl]-7-fluoro-2H-indazol-6-yl]phenol.
What is the SMILES notation for 3-ethyl-4-[3-[5-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-imidazol-2-yl]-7-fluoro-2H-indazol-6-yl]phenol?
The canonical SMILES for 3-ethyl-4-[3-[5-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-imidazol-2-yl]-7-fluoro-2H-indazol-6-yl]phenol is CCc1cc(O)ccc1-c1ccc2c(-c3ncc(C4=CCN(CC)CC4)[nH]3)[nH]nc2c1F.
What is the InChIKey of 3-ethyl-4-[3-[5-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-imidazol-2-yl]-7-fluoro-2H-indazol-6-yl]phenol?
The InChIKey is HQJGANPDKFHMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O/c1-3-15-13-17(32)5-6-18(15)19-7-8-20-23(22(19)26)29-30-24(20)25-27-14-21(28-25)16-9-11-31(4-2)12-10-16/h5-9,13-14,32H,3-4,10-12H2,1-2H3,(H,27,28)(H,29,30).
What are the key properties of 3-ethyl-4-[3-[5-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-imidazol-2-yl]-7-fluoro-2H-indazol-6-yl]phenol?
3-ethyl-4-[3-[5-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-imidazol-2-yl]-7-fluoro-2H-indazol-6-yl]phenol has a molecular weight of 431.52 g/mol, XLogP of 5.14, 5 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-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-1H-imidazol-2-yl]-7-fluoro-2H-indazol-6-yl]phenol is sourced from PubChem (CID 166552459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).