N-ethyl-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide

C23H23FN6O2 — CID 154689223

IUPACN-ethyl-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide
SMILESCCNC(=O)N1Cc2nc(-c3n[nH]c4cc(-c5cc(F)c(O)cc5CC)ccc34)[nH]c2C1
InChIInChI=1S/C23H23FN6O2/c1-3-12-8-20(31)16(24)9-15(12)13-5-6-14-17(7-13)28-29-21(14)22-26-18-10-30(11-19(18)27-22)23(32)25-4-2/h5-9,31H,3-4,10-11H2,1-2H3,(H,25,32)(H,26,27)(H,28,29)
InChIKeyHBGCWGAFPWCNBZ-UHFFFAOYSA-N
MW434.48 g/mol
LogP4.07
Rot. Bonds4

About N-ethyl-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide

N-ethyl-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide (PubChem CID 154689223) has the molecular formula C23H23FN6O2 and a molecular weight of 434.48 g/mol. Its IUPAC name is N-ethyl-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide
PubChem CID154689223
Molecular FormulaC23H23FN6O2
Molecular Weight434.48 g/mol
Exact Mass434.19
IUPAC NameN-ethyl-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide
SMILESCCNC(=O)N1Cc2nc(-c3n[nH]c4cc(-c5cc(F)c(O)cc5CC)ccc34)[nH]c2C1
InChIInChI=1S/C23H23FN6O2/c1-3-12-8-20(31)16(24)9-15(12)13-5-6-14-17(7-13)28-29-21(14)22-26-18-10-30(11-19(18)27-22)23(32)25-4-2/h5-9,31H,3-4,10-11H2,1-2H3,(H,25,32)(H,26,27)(H,28,29)
InChIKeyHBGCWGAFPWCNBZ-UHFFFAOYSA-N
XLogP4.07
TPSA109.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 54.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-ethyl-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide 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

PF-1367550
CID 135567293
{2-[6-(2-Ethyl-5-fluoro-4-hydroxy-phenyl)-1H-indazol-3-yl]-1,4,6,7-tetrahydro-imidazo[4,5-c]pyridin-5-yl}-(4-fluoro-phenyl)-methanone
CID 136263939
1-[2-[6-(2-ethyl-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 137656346
Nezulcitinib
CID 146421275
Indazole-benzimidazole, 4
CID 135928472
3-ethyl-4-[3-(1H-imidazol-2-yl)-1H-indazol-6-yl]phenol
CID 137645020
4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-5-ethyl-2-fluorophenol
CID 137657080
4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-3-methylphenol
CID 135779185
3-1H-Benzoimidazol-2-yl-6-(3-hydroxyphenyl)-1H-indazole
CID 135839328
4-[3-(5-benzyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-5-ethyl-2-fluorophenol
CID 137223928
3-ethyl-4-[3-(5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol
CID 137634328
3-ethyl-4-[3-(5-methylsulfonyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]phenol
CID 137638897

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide?
The IUPAC name of N-ethyl-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide (CID 154689223) is N-ethyl-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide.
What is the SMILES notation for N-ethyl-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide?
The canonical SMILES for N-ethyl-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide is CCNC(=O)N1Cc2nc(-c3n[nH]c4cc(-c5cc(F)c(O)cc5CC)ccc34)[nH]c2C1.
What is the InChIKey of N-ethyl-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide?
The InChIKey is HBGCWGAFPWCNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O2/c1-3-12-8-20(31)16(24)9-15(12)13-5-6-14-17(7-13)28-29-21(14)22-26-18-10-30(11-19(18)27-22)23(32)25-4-2/h5-9,31H,3-4,10-11H2,1-2H3,(H,25,32)(H,26,27)(H,28,29).
What are the key properties of N-ethyl-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide?
N-ethyl-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide has a molecular weight of 434.48 g/mol, XLogP of 4.07, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide is sourced from PubChem (CID 154689223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).