2-methyl-3-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]phenol;3-methyl-4-(3-phenyl-1H-indazol-5-yl)phenol;3-phenyl-5-pyridin-4-yl-1H-indazole

C60H47N7O2 — CID 159069372

IUPAC2-methyl-3-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]phenol;3-methyl-4-(3-phenyl-1H-indazol-5-yl)phenol;3-phenyl-5-pyridin-4-yl-1H-indazole
SMILESCc1c(O)cccc1-c1ccc2[nH]nc(/C=C/c3ccccc3)c2c1.Cc1cc(O)ccc1-c1ccc2[nH]nc(-c3ccccc3)c2c1.c1ccc(-c2n[nH]c3ccc(-c4ccncc4)cc23)cc1
InChIInChI=1S/C22H18N2O.C20H16N2O.C18H13N3/c1-15-18(8-5-9-22(15)25)17-11-13-21-19(14-17)20(23-24-21)12-10-16-6-3-2-4-7-16;1-13-11-16(23)8-9-17(13)15-7-10-19-18(12-15)20(22-21-19)14-5-3-2-4-6-14;1-2-4-14(5-3-1)18-16-12-15(6-7-17(16)20-21-18)13-8-10-19-11-9-13/h2-14,25H,1H3,(H,23,24);2-12,23H,1H3,(H,21,22);1-12H,(H,20,21)/b12-10+;;
InChIKeyJZLLHGUUUZIGMV-PFNYCKIMSA-N
MW898.08 g/mol
LogP14.62
Rot. Bonds7

About 2-methyl-3-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]phenol;3-methyl-4-(3-phenyl-1H-indazol-5-yl)phenol;3-phenyl-5-pyridin-4-yl-1H-indazole

2-methyl-3-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]phenol;3-methyl-4-(3-phenyl-1H-indazol-5-yl)phenol;3-phenyl-5-pyridin-4-yl-1H-indazole (PubChem CID 159069372) has the molecular formula C60H47N7O2 and a molecular weight of 898.08 g/mol. Its IUPAC name is 2-methyl-3-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]phenol;3-methyl-4-(3-phenyl-1H-indazol-5-yl)phenol;3-phenyl-5-pyridin-4-yl-1H-indazole.

Molecular Properties

Compound Name2-methyl-3-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]phenol;3-methyl-4-(3-phenyl-1H-indazol-5-yl)phenol;3-phenyl-5-pyridin-4-yl-1H-indazole
PubChem CID159069372
Molecular FormulaC60H47N7O2
Molecular Weight898.08 g/mol
Exact Mass897.38
IUPAC Name2-methyl-3-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]phenol;3-methyl-4-(3-phenyl-1H-indazol-5-yl)phenol;3-phenyl-5-pyridin-4-yl-1H-indazole
SMILESCc1c(O)cccc1-c1ccc2[nH]nc(/C=C/c3ccccc3)c2c1.Cc1cc(O)ccc1-c1ccc2[nH]nc(-c3ccccc3)c2c1.c1ccc(-c2n[nH]c3ccc(-c4ccncc4)cc23)cc1
InChIInChI=1S/C22H18N2O.C20H16N2O.C18H13N3/c1-15-18(8-5-9-22(15)25)17-11-13-21-19(14-17)20(23-24-21)12-10-16-6-3-2-4-7-16;1-13-11-16(23)8-9-17(13)15-7-10-19-18(12-15)20(22-21-19)14-5-3-2-4-6-14;1-2-4-14(5-3-1)18-16-12-15(6-7-17(16)20-21-18)13-8-10-19-11-9-13/h2-14,25H,1H3,(H,23,24);2-12,23H,1H3,(H,21,22);1-12H,(H,20,21)/b12-10+;;
InChIKeyJZLLHGUUUZIGMV-PFNYCKIMSA-N
XLogP14.62
TPSA139.39 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500898.08
LogP ≤ 514.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 2-methyl-3-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]phenol;3-methyl-4-(3-phenyl-1H-indazol-5-yl)phenol;3-phenyl-5-pyridin-4-yl-1H-indazole with MolForge

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Related Compounds

4-(2-amino-4-ethyl-5-(1H-indazol-5-yl)-3-pyridyl)phenol
CID 122531786
4-[6-amino-4-ethyl-5-(1H-indazol-5-yl)-3-pyridyl]phenol
CID 122531747
2-[5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-(3-methyl-2H-indazol-5-yl)-2-pyridinyl]phenol
CID 137641135
2-[5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-(3-methyl-2H-indazol-5-yl)-2-pyridinyl]-4-methylphenol
CID 137646334
3-[5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-(3-methyl-2H-indazol-5-yl)-2-pyridinyl]phenol
CID 137661196
4-[piperidin-1-yl-(4-pyrrol-1-ylphenyl)methyl]-1H-indazol-5-ol
CID 162662166
4-[4-(1H-indazol-4-ylamino)quinolin-6-yl]phenol
CID 86766658
3-[4-(1H-indazol-4-ylamino)quinolin-6-yl]phenol
CID 86766680
4-fluoro-2-[5-(3-hydroxypropylamino)-3-(3-methyl-2H-indazol-5-yl)-2-pyridinyl]phenol
CID 137632162
2-[5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-(3-methyl-2H-indazol-5-yl)-2-pyridinyl]-4-propan-2-ylphenol
CID 137659396
4-[6-amino-4-ethyl-5-(3-methyl-1H-indazol-5-yl)-3-pyridyl]phenol
CID 122531783
4,5-Dimethyl-2-[(9-(trifluoromethyl)-1h-pyrazolo[3,4-f]quinolin-8-yl)methyl]phenol
CID 177865639

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]phenol;3-methyl-4-(3-phenyl-1H-indazol-5-yl)phenol;3-phenyl-5-pyridin-4-yl-1H-indazole?
The IUPAC name of 2-methyl-3-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]phenol;3-methyl-4-(3-phenyl-1H-indazol-5-yl)phenol;3-phenyl-5-pyridin-4-yl-1H-indazole (CID 159069372) is 2-methyl-3-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]phenol;3-methyl-4-(3-phenyl-1H-indazol-5-yl)phenol;3-phenyl-5-pyridin-4-yl-1H-indazole.
What is the SMILES notation for 2-methyl-3-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]phenol;3-methyl-4-(3-phenyl-1H-indazol-5-yl)phenol;3-phenyl-5-pyridin-4-yl-1H-indazole?
The canonical SMILES for 2-methyl-3-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]phenol;3-methyl-4-(3-phenyl-1H-indazol-5-yl)phenol;3-phenyl-5-pyridin-4-yl-1H-indazole is Cc1c(O)cccc1-c1ccc2[nH]nc(/C=C/c3ccccc3)c2c1.Cc1cc(O)ccc1-c1ccc2[nH]nc(-c3ccccc3)c2c1.c1ccc(-c2n[nH]c3ccc(-c4ccncc4)cc23)cc1.
What is the InChIKey of 2-methyl-3-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]phenol;3-methyl-4-(3-phenyl-1H-indazol-5-yl)phenol;3-phenyl-5-pyridin-4-yl-1H-indazole?
The InChIKey is JZLLHGUUUZIGMV-PFNYCKIMSA-N. The full InChI is InChI=1S/C22H18N2O.C20H16N2O.C18H13N3/c1-15-18(8-5-9-22(15)25)17-11-13-21-19(14-17)20(23-24-21)12-10-16-6-3-2-4-7-16;1-13-11-16(23)8-9-17(13)15-7-10-19-18(12-15)20(22-21-19)14-5-3-2-4-6-14;1-2-4-14(5-3-1)18-16-12-15(6-7-17(16)20-21-18)13-8-10-19-11-9-13/h2-14,25H,1H3,(H,23,24);2-12,23H,1H3,(H,21,22);1-12H,(H,20,21)/b12-10+;;.
What are the key properties of 2-methyl-3-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]phenol;3-methyl-4-(3-phenyl-1H-indazol-5-yl)phenol;3-phenyl-5-pyridin-4-yl-1H-indazole?
2-methyl-3-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]phenol;3-methyl-4-(3-phenyl-1H-indazol-5-yl)phenol;3-phenyl-5-pyridin-4-yl-1H-indazole has a molecular weight of 898.08 g/mol, XLogP of 14.62, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]phenol;3-methyl-4-(3-phenyl-1H-indazol-5-yl)phenol;3-phenyl-5-pyridin-4-yl-1H-indazole is sourced from PubChem (CID 159069372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).