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

C23H23FN6O3 — CID 155665205

IUPAC2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-N-(2-hydroxyethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide
SMILESCCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CN(C(=O)NCCO)C4)n[nH]c2c1
InChIInChI=1S/C23H23FN6O3/c1-2-12-8-20(32)16(24)9-15(12)13-3-4-14-17(7-13)28-29-21(14)22-26-18-10-30(11-19(18)27-22)23(33)25-5-6-31/h3-4,7-9,31-32H,2,5-6,10-11H2,1H3,(H,25,33)(H,26,27)(H,28,29)
InChIKeyPSFVDMGGPAYWHU-UHFFFAOYSA-N
MW450.47 g/mol
LogP3.04
Rot. Bonds5

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

2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-N-(2-hydroxyethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide (PubChem CID 155665205) has the molecular formula C23H23FN6O3 and a molecular weight of 450.47 g/mol. Its IUPAC name is 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-N-(2-hydroxyethyl)-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-(2-hydroxyethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide
PubChem CID155665205
Molecular FormulaC23H23FN6O3
Molecular Weight450.47 g/mol
Exact Mass450.18
IUPAC Name2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-N-(2-hydroxyethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide
SMILESCCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CN(C(=O)NCCO)C4)n[nH]c2c1
InChIInChI=1S/C23H23FN6O3/c1-2-12-8-20(32)16(24)9-15(12)13-3-4-14-17(7-13)28-29-21(14)22-26-18-10-30(11-19(18)27-22)23(33)25-5-6-31/h3-4,7-9,31-32H,2,5-6,10-11H2,1H3,(H,25,33)(H,26,27)(H,28,29)
InChIKeyPSFVDMGGPAYWHU-UHFFFAOYSA-N
XLogP3.04
TPSA130.16 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 53.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-N-(2-hydroxyethyl)-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

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-N-(2-hydroxyethyl)-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-(2-hydroxyethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide (CID 155665205) is 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-N-(2-hydroxyethyl)-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-(2-hydroxyethyl)-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-(2-hydroxyethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide is CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CN(C(=O)NCCO)C4)n[nH]c2c1.
What is the InChIKey of 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-N-(2-hydroxyethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide?
The InChIKey is PSFVDMGGPAYWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O3/c1-2-12-8-20(32)16(24)9-15(12)13-3-4-14-17(7-13)28-29-21(14)22-26-18-10-30(11-19(18)27-22)23(33)25-5-6-31/h3-4,7-9,31-32H,2,5-6,10-11H2,1H3,(H,25,33)(H,26,27)(H,28,29).
What are the key properties of 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-N-(2-hydroxyethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide?
2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-N-(2-hydroxyethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide has a molecular weight of 450.47 g/mol, XLogP of 3.04, 5 rotatable bonds, 5 hydrogen bond donors, and 5 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-(2-hydroxyethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide is sourced from PubChem (CID 155665205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).