5-ethyl-2-fluoro-4-[3-[5-[(5-methylpyrazin-2-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]phenol

C27H26FN7O — CID 163257155

IUPAC5-ethyl-2-fluoro-4-[3-[5-[(5-methylpyrazin-2-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]phenol
SMILESCCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CN(Cc3cnc(C)cn3)CC4)n[nH]c2c1
InChIInChI=1S/C27H26FN7O/c1-3-16-9-25(36)21(28)10-20(16)17-4-5-19-23(8-17)33-34-26(19)27-31-22-6-7-35(14-24(22)32-27)13-18-12-29-15(2)11-30-18/h4-5,8-12,36H,3,6-7,13-14H2,1-2H3,(H,31,32)(H,33,34)
InChIKeyYSJVCCJSGKGGPT-UHFFFAOYSA-N
MW483.55 g/mol
LogP4.68
Rot. Bonds5

About 5-ethyl-2-fluoro-4-[3-[5-[(5-methylpyrazin-2-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]phenol

5-ethyl-2-fluoro-4-[3-[5-[(5-methylpyrazin-2-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]phenol (PubChem CID 163257155) has the molecular formula C27H26FN7O and a molecular weight of 483.55 g/mol. Its IUPAC name is 5-ethyl-2-fluoro-4-[3-[5-[(5-methylpyrazin-2-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]phenol.

Molecular Properties

Compound Name5-ethyl-2-fluoro-4-[3-[5-[(5-methylpyrazin-2-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]phenol
PubChem CID163257155
Molecular FormulaC27H26FN7O
Molecular Weight483.55 g/mol
Exact Mass483.22
IUPAC Name5-ethyl-2-fluoro-4-[3-[5-[(5-methylpyrazin-2-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]phenol
SMILESCCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CN(Cc3cnc(C)cn3)CC4)n[nH]c2c1
InChIInChI=1S/C27H26FN7O/c1-3-16-9-25(36)21(28)10-20(16)17-4-5-19-23(8-17)33-34-26(19)27-31-22-6-7-35(14-24(22)32-27)13-18-12-29-15(2)11-30-18/h4-5,8-12,36H,3,6-7,13-14H2,1-2H3,(H,31,32)(H,33,34)
InChIKeyYSJVCCJSGKGGPT-UHFFFAOYSA-N
XLogP4.68
TPSA106.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-ethyl-2-fluoro-4-[3-[5-[(5-methylpyrazin-2-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]phenol 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
3-(3-Indolylmethyl)-6-(3-hydroxylphenyl)[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 57406046
4-[2-amino-4-ethyl-5-(1H-indazol-6-yl)-3-pyridinyl]phenol
CID 122531784
(2-(5-(isoquinolin-4-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzo[d]imidazol-4-yl)methanol
CID 135497853
4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-3-methylphenol
CID 135779185

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-fluoro-4-[3-[5-[(5-methylpyrazin-2-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]phenol?
The IUPAC name of 5-ethyl-2-fluoro-4-[3-[5-[(5-methylpyrazin-2-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]phenol (CID 163257155) is 5-ethyl-2-fluoro-4-[3-[5-[(5-methylpyrazin-2-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]phenol.
What is the SMILES notation for 5-ethyl-2-fluoro-4-[3-[5-[(5-methylpyrazin-2-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]phenol?
The canonical SMILES for 5-ethyl-2-fluoro-4-[3-[5-[(5-methylpyrazin-2-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]phenol is CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CN(Cc3cnc(C)cn3)CC4)n[nH]c2c1.
What is the InChIKey of 5-ethyl-2-fluoro-4-[3-[5-[(5-methylpyrazin-2-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]phenol?
The InChIKey is YSJVCCJSGKGGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN7O/c1-3-16-9-25(36)21(28)10-20(16)17-4-5-19-23(8-17)33-34-26(19)27-31-22-6-7-35(14-24(22)32-27)13-18-12-29-15(2)11-30-18/h4-5,8-12,36H,3,6-7,13-14H2,1-2H3,(H,31,32)(H,33,34).
What are the key properties of 5-ethyl-2-fluoro-4-[3-[5-[(5-methylpyrazin-2-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]phenol?
5-ethyl-2-fluoro-4-[3-[5-[(5-methylpyrazin-2-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]phenol has a molecular weight of 483.55 g/mol, XLogP of 4.68, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-fluoro-4-[3-[5-[(5-methylpyrazin-2-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]phenol is sourced from PubChem (CID 163257155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).