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

C25H25FN6O3 — CID 154689160

IUPAC2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-N-(oxolan-3-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide
SMILESCCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CN(C(=O)NC3CCOC3)C4)n[nH]c2c1
InChIInChI=1S/C25H25FN6O3/c1-2-13-8-22(33)18(26)9-17(13)14-3-4-16-19(7-14)30-31-23(16)24-28-20-10-32(11-21(20)29-24)25(34)27-15-5-6-35-12-15/h3-4,7-9,15,33H,2,5-6,10-12H2,1H3,(H,27,34)(H,28,29)(H,30,31)
InChIKeyGAJYWCAVJXUIHT-UHFFFAOYSA-N
MW476.51 g/mol
LogP3.84
Rot. Bonds4

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

2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-N-(oxolan-3-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide (PubChem CID 154689160) has the molecular formula C25H25FN6O3 and a molecular weight of 476.51 g/mol. Its IUPAC name is 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-N-(oxolan-3-yl)-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-(oxolan-3-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide
PubChem CID154689160
Molecular FormulaC25H25FN6O3
Molecular Weight476.51 g/mol
Exact Mass476.20
IUPAC Name2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-N-(oxolan-3-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide
SMILESCCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CN(C(=O)NC3CCOC3)C4)n[nH]c2c1
InChIInChI=1S/C25H25FN6O3/c1-2-13-8-22(33)18(26)9-17(13)14-3-4-16-19(7-14)30-31-23(16)24-28-20-10-32(11-21(20)29-24)25(34)27-15-5-6-35-12-15/h3-4,7-9,15,33H,2,5-6,10-12H2,1H3,(H,27,34)(H,28,29)(H,30,31)
InChIKeyGAJYWCAVJXUIHT-UHFFFAOYSA-N
XLogP3.84
TPSA119.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.51
LogP ≤ 53.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-cyclopropyl-1-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]ethanone
CID 154689200
[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 154689237
CID 154689138
CID 154689138
5-ethyl-2-fluoro-4-[3-[5-(4-hydroxycyclohexyl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-2-yl]-1H-indazol-6-yl]phenol
CID 154689253
(6S)-5-ethyl-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 137302007
2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbaldehyde;N-methyl-1-(oxan-4-yl)methanamine
CID 145306138
[(1S,5R)-2-azabicyclo[3.1.0]hexan-1-yl]-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 146563090
4-[3-[5-(2-aminoethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]-5-ethyl-2-fluorophenol
CID 137226788
4-[3-[5-(azetidin-3-yl)-6-(hydroxymethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]-5-ethyl-2-fluorophenol
CID 137302039
5-ethyl-2-fluoro-4-[3-[5-[2-(2,2,3,3-tetramethylazetidin-1-yl)ethyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]phenol
CID 137243682
[3-(dimethylamino)azetidin-1-yl]-[(6S)-2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]methanone
CID 137302029
[5-[(6aR)-2,3,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyrazin-2-yl]-[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 137239865

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-N-(oxolan-3-yl)-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-(oxolan-3-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide (CID 154689160) is 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-N-(oxolan-3-yl)-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-(oxolan-3-yl)-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-(oxolan-3-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide is CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CN(C(=O)NC3CCOC3)C4)n[nH]c2c1.
What is the InChIKey of 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-N-(oxolan-3-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide?
The InChIKey is GAJYWCAVJXUIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O3/c1-2-13-8-22(33)18(26)9-17(13)14-3-4-16-19(7-14)30-31-23(16)24-28-20-10-32(11-21(20)29-24)25(34)27-15-5-6-35-12-15/h3-4,7-9,15,33H,2,5-6,10-12H2,1H3,(H,27,34)(H,28,29)(H,30,31).
What are the key properties of 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-N-(oxolan-3-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide?
2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-N-(oxolan-3-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide has a molecular weight of 476.51 g/mol, XLogP of 3.84, 4 rotatable bonds, 4 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-(oxolan-3-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxamide is sourced from PubChem (CID 154689160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).