(2S)-2-amino-1-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-phenylpropan-1-one

C32H32N6O2 — CID 171053750

IUPAC(2S)-2-amino-1-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-phenylpropan-1-one
SMILESCCc1cc(O)ccc1-c1ccc2c(-c3ncc(C4=CCN(C(=O)[C@@H](N)Cc5ccccc5)CC4)[nH]3)n[nH]c2c1
InChIInChI=1S/C32H32N6O2/c1-2-21-17-24(39)9-11-25(21)23-8-10-26-28(18-23)36-37-30(26)31-34-19-29(35-31)22-12-14-38(15-13-22)32(40)27(33)16-20-6-4-3-5-7-20/h3-12,17-19,27,39H,2,13-16,33H2,1H3,(H,34,35)(H,36,37)/t27-/m0/s1
InChIKeyFSJOVXMIMCZDEB-MHZLTWQESA-N
MW532.65 g/mol
LogP5.07
Rot. Bonds7

About (2S)-2-amino-1-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-phenylpropan-1-one

(2S)-2-amino-1-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-phenylpropan-1-one (PubChem CID 171053750) has the molecular formula C32H32N6O2 and a molecular weight of 532.65 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-phenylpropan-1-one
PubChem CID171053750
Molecular FormulaC32H32N6O2
Molecular Weight532.65 g/mol
Exact Mass532.26
IUPAC Name(2S)-2-amino-1-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-phenylpropan-1-one
SMILESCCc1cc(O)ccc1-c1ccc2c(-c3ncc(C4=CCN(C(=O)[C@@H](N)Cc5ccccc5)CC4)[nH]3)n[nH]c2c1
InChIInChI=1S/C32H32N6O2/c1-2-21-17-24(39)9-11-25(21)23-8-10-26-28(18-23)36-37-30(26)31-34-19-29(35-31)22-12-14-38(15-13-22)32(40)27(33)16-20-6-4-3-5-7-20/h3-12,17-19,27,39H,2,13-16,33H2,1H3,(H,34,35)(H,36,37)/t27-/m0/s1
InChIKeyFSJOVXMIMCZDEB-MHZLTWQESA-N
XLogP5.07
TPSA123.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.65
LogP ≤ 55.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-1-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-phenylpropan-1-one 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 (2S)-2-amino-1-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of (2S)-2-amino-1-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-phenylpropan-1-one (CID 171053750) is (2S)-2-amino-1-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for (2S)-2-amino-1-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-phenylpropan-1-one is CCc1cc(O)ccc1-c1ccc2c(-c3ncc(C4=CCN(C(=O)[C@@H](N)Cc5ccccc5)CC4)[nH]3)n[nH]c2c1.
What is the InChIKey of (2S)-2-amino-1-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-phenylpropan-1-one?
The InChIKey is FSJOVXMIMCZDEB-MHZLTWQESA-N. The full InChI is InChI=1S/C32H32N6O2/c1-2-21-17-24(39)9-11-25(21)23-8-10-26-28(18-23)36-37-30(26)31-34-19-29(35-31)22-12-14-38(15-13-22)32(40)27(33)16-20-6-4-3-5-7-20/h3-12,17-19,27,39H,2,13-16,33H2,1H3,(H,34,35)(H,36,37)/t27-/m0/s1.
What are the key properties of (2S)-2-amino-1-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-phenylpropan-1-one?
(2S)-2-amino-1-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-phenylpropan-1-one has a molecular weight of 532.65 g/mol, XLogP of 5.07, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 171053750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).