methyl (2R)-4-[2-[6-(2-ethyl-4-hydroxyphenyl)-7-fluoro-2H-indazol-3-yl]-1H-imidazol-5-yl]-2,5-dihydro-1H-pyrrole-2-carboxylate

C24H22FN5O3 — CID 166552262

IUPACmethyl (2R)-4-[2-[6-(2-ethyl-4-hydroxyphenyl)-7-fluoro-2H-indazol-3-yl]-1H-imidazol-5-yl]-2,5-dihydro-1H-pyrrole-2-carboxylate
SMILESCCc1cc(O)ccc1-c1ccc2c(-c3ncc(C4=C[C@H](C(=O)OC)NC4)[nH]3)[nH]nc2c1F
InChIInChI=1S/C24H22FN5O3/c1-3-12-8-14(31)4-5-15(12)16-6-7-17-21(20(16)25)29-30-22(17)23-27-11-19(28-23)13-9-18(26-10-13)24(32)33-2/h4-9,11,18,26,31H,3,10H2,1-2H3,(H,27,28)(H,29,30)/t18-/m1/s1
InChIKeyZBNPROGRXKWEJS-GOSISDBHSA-N
MW447.47 g/mol
LogP3.56
Rot. Bonds5

About methyl (2R)-4-[2-[6-(2-ethyl-4-hydroxyphenyl)-7-fluoro-2H-indazol-3-yl]-1H-imidazol-5-yl]-2,5-dihydro-1H-pyrrole-2-carboxylate

methyl (2R)-4-[2-[6-(2-ethyl-4-hydroxyphenyl)-7-fluoro-2H-indazol-3-yl]-1H-imidazol-5-yl]-2,5-dihydro-1H-pyrrole-2-carboxylate (PubChem CID 166552262) has the molecular formula C24H22FN5O3 and a molecular weight of 447.47 g/mol. Its IUPAC name is methyl (2R)-4-[2-[6-(2-ethyl-4-hydroxyphenyl)-7-fluoro-2H-indazol-3-yl]-1H-imidazol-5-yl]-2,5-dihydro-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-4-[2-[6-(2-ethyl-4-hydroxyphenyl)-7-fluoro-2H-indazol-3-yl]-1H-imidazol-5-yl]-2,5-dihydro-1H-pyrrole-2-carboxylate
PubChem CID166552262
Molecular FormulaC24H22FN5O3
Molecular Weight447.47 g/mol
Exact Mass447.17
IUPAC Namemethyl (2R)-4-[2-[6-(2-ethyl-4-hydroxyphenyl)-7-fluoro-2H-indazol-3-yl]-1H-imidazol-5-yl]-2,5-dihydro-1H-pyrrole-2-carboxylate
SMILESCCc1cc(O)ccc1-c1ccc2c(-c3ncc(C4=C[C@H](C(=O)OC)NC4)[nH]3)[nH]nc2c1F
InChIInChI=1S/C24H22FN5O3/c1-3-12-8-14(31)4-5-15(12)16-6-7-17-21(20(16)25)29-30-22(17)23-27-11-19(28-23)13-9-18(26-10-13)24(32)33-2/h4-9,11,18,26,31H,3,10H2,1-2H3,(H,27,28)(H,29,30)/t18-/m1/s1
InChIKeyZBNPROGRXKWEJS-GOSISDBHSA-N
XLogP3.56
TPSA115.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 53.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze methyl (2R)-4-[2-[6-(2-ethyl-4-hydroxyphenyl)-7-fluoro-2H-indazol-3-yl]-1H-imidazol-5-yl]-2,5-dihydro-1H-pyrrole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-[5-(2,5-dihydro-1H-pyrrol-3-yl)-1H-imidazol-2-yl]-7-fluoro-2H-indazol-6-yl]-3-ethylphenol;N,N-dimethylacetamide
CID 166552420
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
3-ethyl-4-[7-fluoro-3-[5-[(5R)-1-(2-hydroxyethyl)-5-(hydroxymethyl)-2,5-dihydropyrrol-3-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol
CID 166552340
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
3-ethyl-4-[7-fluoro-3-[5-[1-(3-hydroxypropyl)-2-methyl-3,6-dihydro-2H-pyridin-5-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol
CID 166552402
3-ethyl-4-[7-fluoro-3-[5-[1-[[(3R)-morpholin-3-yl]methyl]-2,5-dihydropyrrol-3-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol
CID 166552265
4-[3-[5-[1-(azetidin-3-ylsulfonyl)-2,5-dihydropyrrol-3-yl]-1H-imidazol-2-yl]-7-fluoro-2H-indazol-6-yl]-3-ethylphenol
CID 166552186
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
3-ethyl-4-[7-fluoro-3-[5-[1-(2-methylsulfanylethyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-imidazol-2-yl]-2H-indazol-6-yl]phenol
CID 166552364
N-[2-[4-[2-[6-(2-ethyl-4-hydroxyphenyl)-7-fluoro-2H-indazol-3-yl]-1H-imidazol-5-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]methanesulfonamide
CID 167277819
2-[2-(dimethylamino)ethoxy]-1-[3-[2-[6-(2-ethyl-4-hydroxyphenyl)-7-fluoro-2H-indazol-3-yl]-1H-imidazol-5-yl]-2,5-dihydropyrrol-1-yl]ethanone
CID 171053728
3-(1,1-difluoroethyl)-4-[3-[5-(2,5-dihydro-1H-pyrrol-3-yl)-1H-imidazol-2-yl]-7-fluoro-2H-indazol-6-yl]phenol
CID 171053764

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-4-[2-[6-(2-ethyl-4-hydroxyphenyl)-7-fluoro-2H-indazol-3-yl]-1H-imidazol-5-yl]-2,5-dihydro-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl (2R)-4-[2-[6-(2-ethyl-4-hydroxyphenyl)-7-fluoro-2H-indazol-3-yl]-1H-imidazol-5-yl]-2,5-dihydro-1H-pyrrole-2-carboxylate (CID 166552262) is methyl (2R)-4-[2-[6-(2-ethyl-4-hydroxyphenyl)-7-fluoro-2H-indazol-3-yl]-1H-imidazol-5-yl]-2,5-dihydro-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl (2R)-4-[2-[6-(2-ethyl-4-hydroxyphenyl)-7-fluoro-2H-indazol-3-yl]-1H-imidazol-5-yl]-2,5-dihydro-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl (2R)-4-[2-[6-(2-ethyl-4-hydroxyphenyl)-7-fluoro-2H-indazol-3-yl]-1H-imidazol-5-yl]-2,5-dihydro-1H-pyrrole-2-carboxylate is CCc1cc(O)ccc1-c1ccc2c(-c3ncc(C4=C[C@H](C(=O)OC)NC4)[nH]3)[nH]nc2c1F.
What is the InChIKey of methyl (2R)-4-[2-[6-(2-ethyl-4-hydroxyphenyl)-7-fluoro-2H-indazol-3-yl]-1H-imidazol-5-yl]-2,5-dihydro-1H-pyrrole-2-carboxylate?
The InChIKey is ZBNPROGRXKWEJS-GOSISDBHSA-N. The full InChI is InChI=1S/C24H22FN5O3/c1-3-12-8-14(31)4-5-15(12)16-6-7-17-21(20(16)25)29-30-22(17)23-27-11-19(28-23)13-9-18(26-10-13)24(32)33-2/h4-9,11,18,26,31H,3,10H2,1-2H3,(H,27,28)(H,29,30)/t18-/m1/s1.
What are the key properties of methyl (2R)-4-[2-[6-(2-ethyl-4-hydroxyphenyl)-7-fluoro-2H-indazol-3-yl]-1H-imidazol-5-yl]-2,5-dihydro-1H-pyrrole-2-carboxylate?
methyl (2R)-4-[2-[6-(2-ethyl-4-hydroxyphenyl)-7-fluoro-2H-indazol-3-yl]-1H-imidazol-5-yl]-2,5-dihydro-1H-pyrrole-2-carboxylate has a molecular weight of 447.47 g/mol, XLogP of 3.56, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-4-[2-[6-(2-ethyl-4-hydroxyphenyl)-7-fluoro-2H-indazol-3-yl]-1H-imidazol-5-yl]-2,5-dihydro-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 166552262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).