methyl 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate

C23H22FN5O3 — CID 138581057

IUPACmethyl 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate
SMILESCCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CNC(C(=O)OC)C4)n[nH]c2c1
InChIInChI=1S/C23H22FN5O3/c1-3-11-7-20(30)15(24)8-14(11)12-4-5-13-16(6-12)28-29-21(13)22-26-17-9-18(23(31)32-2)25-10-19(17)27-22/h4-8,18,25,30H,3,9-10H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyOBMSZOAKQMJZGL-UHFFFAOYSA-N
MW435.46 g/mol
LogP3.21
Rot. Bonds4

About methyl 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate

methyl 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate (PubChem CID 138581057) has the molecular formula C23H22FN5O3 and a molecular weight of 435.46 g/mol. Its IUPAC name is methyl 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate
PubChem CID138581057
Molecular FormulaC23H22FN5O3
Molecular Weight435.46 g/mol
Exact Mass435.17
IUPAC Namemethyl 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate
SMILESCCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CNC(C(=O)OC)C4)n[nH]c2c1
InChIInChI=1S/C23H22FN5O3/c1-3-11-7-20(30)15(24)8-14(11)12-4-5-13-16(6-12)28-29-21(13)22-26-17-9-18(23(31)32-2)25-10-19(17)27-22/h4-8,18,25,30H,3,9-10H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyOBMSZOAKQMJZGL-UHFFFAOYSA-N
XLogP3.21
TPSA115.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 53.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze methyl 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate?
The IUPAC name of methyl 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate (CID 138581057) is methyl 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate is CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CNC(C(=O)OC)C4)n[nH]c2c1.
What is the InChIKey of methyl 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate?
The InChIKey is OBMSZOAKQMJZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O3/c1-3-11-7-20(30)15(24)8-14(11)12-4-5-13-16(6-12)28-29-21(13)22-26-17-9-18(23(31)32-2)25-10-19(17)27-22/h4-8,18,25,30H,3,9-10H2,1-2H3,(H,26,27)(H,28,29).
What are the key properties of methyl 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate?
methyl 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate has a molecular weight of 435.46 g/mol, XLogP of 3.21, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylate is sourced from PubChem (CID 138581057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).