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

C25H25FN6O2 — CID 166552383

IUPAC2-amino-1-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-7-fluoro-2H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCCc1cc(O)ccc1-c1ccc2c(-c3ncc(C4=CCN(C(=O)CN)CC4)[nH]3)[nH]nc2c1F
InChIInChI=1S/C25H25FN6O2/c1-2-14-11-16(33)3-4-17(14)18-5-6-19-23(22(18)26)30-31-24(19)25-28-13-20(29-25)15-7-9-32(10-8-15)21(34)12-27/h3-7,11,13,33H,2,8-10,12,27H2,1H3,(H,28,29)(H,30,31)
InChIKeyOXUIBPUJXLIZDK-UHFFFAOYSA-N
MW460.51 g/mol
LogP3.60
Rot. Bonds5

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

2-amino-1-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-7-fluoro-2H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 166552383) has the molecular formula C25H25FN6O2 and a molecular weight of 460.51 g/mol. Its IUPAC name is 2-amino-1-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-7-fluoro-2H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-7-fluoro-2H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID166552383
Molecular FormulaC25H25FN6O2
Molecular Weight460.51 g/mol
Exact Mass460.20
IUPAC Name2-amino-1-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-7-fluoro-2H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCCc1cc(O)ccc1-c1ccc2c(-c3ncc(C4=CCN(C(=O)CN)CC4)[nH]3)[nH]nc2c1F
InChIInChI=1S/C25H25FN6O2/c1-2-14-11-16(33)3-4-17(14)18-5-6-19-23(22(18)26)30-31-24(19)25-28-13-20(29-25)15-7-9-32(10-8-15)21(34)12-27/h3-7,11,13,33H,2,8-10,12,27H2,1H3,(H,28,29)(H,30,31)
InChIKeyOXUIBPUJXLIZDK-UHFFFAOYSA-N
XLogP3.60
TPSA123.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 53.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-7-fluoro-2H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-7-fluoro-2H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 166552383) is 2-amino-1-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-7-fluoro-2H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-7-fluoro-2H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-7-fluoro-2H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone is CCc1cc(O)ccc1-c1ccc2c(-c3ncc(C4=CCN(C(=O)CN)CC4)[nH]3)[nH]nc2c1F.
What is the InChIKey of 2-amino-1-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-7-fluoro-2H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is OXUIBPUJXLIZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O2/c1-2-14-11-16(33)3-4-17(14)18-5-6-19-23(22(18)26)30-31-24(19)25-28-13-20(29-25)15-7-9-32(10-8-15)21(34)12-27/h3-7,11,13,33H,2,8-10,12,27H2,1H3,(H,28,29)(H,30,31).
What are the key properties of 2-amino-1-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-7-fluoro-2H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
2-amino-1-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-7-fluoro-2H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 460.51 g/mol, XLogP of 3.60, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-7-fluoro-2H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 166552383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).