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

C23H23FN6O2 — CID 154689141

IUPAC2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide
SMILESCCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CN(C(=O)N(C)C)C4)n[nH]c2c1
InChIInChI=1S/C23H23FN6O2/c1-4-12-8-20(31)16(24)9-15(12)13-5-6-14-17(7-13)27-28-21(14)22-25-18-10-30(11-19(18)26-22)23(32)29(2)3/h5-9,31H,4,10-11H2,1-3H3,(H,25,26)(H,27,28)
InChIKeyGSKNEMZIKIGZJJ-UHFFFAOYSA-N
MW434.48 g/mol
LogP4.02
Rot. Bonds3

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

2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide (PubChem CID 154689141) has the molecular formula C23H23FN6O2 and a molecular weight of 434.48 g/mol. Its IUPAC name is 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide.

Molecular Properties

Compound Name2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide
PubChem CID154689141
Molecular FormulaC23H23FN6O2
Molecular Weight434.48 g/mol
Exact Mass434.19
IUPAC Name2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide
SMILESCCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CN(C(=O)N(C)C)C4)n[nH]c2c1
InChIInChI=1S/C23H23FN6O2/c1-4-12-8-20(31)16(24)9-15(12)13-5-6-14-17(7-13)27-28-21(14)22-25-18-10-30(11-19(18)26-22)23(32)29(2)3/h5-9,31H,4,10-11H2,1-3H3,(H,25,26)(H,27,28)
InChIKeyGSKNEMZIKIGZJJ-UHFFFAOYSA-N
XLogP4.02
TPSA101.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

PF-06263276
CID 135567296
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

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide?
The IUPAC name of 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide (CID 154689141) is 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide.
What is the SMILES notation for 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide?
The canonical SMILES for 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide is CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CN(C(=O)N(C)C)C4)n[nH]c2c1.
What is the InChIKey of 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide?
The InChIKey is GSKNEMZIKIGZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O2/c1-4-12-8-20(31)16(24)9-15(12)13-5-6-14-17(7-13)27-28-21(14)22-25-18-10-30(11-19(18)26-22)23(32)29(2)3/h5-9,31H,4,10-11H2,1-3H3,(H,25,26)(H,27,28).
What are the key properties of 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide?
2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide has a molecular weight of 434.48 g/mol, XLogP of 4.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide is sourced from PubChem (CID 154689141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).