(5R)-5-(2-ethoxy-2-pyridin-2-ylethyl)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazole

C24H26FN3O — CID 15605225

IUPAC(5R)-5-(2-ethoxy-2-pyridin-2-ylethyl)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazole
SMILESCCOC(C[C@@]1(C)Cc2cnn(-c3ccc(F)cc3)c2C=C1C)c1ccccn1
InChIInChI=1S/C24H26FN3O/c1-4-29-23(21-7-5-6-12-26-21)15-24(3)14-18-16-27-28(22(18)13-17(24)2)20-10-8-19(25)9-11-20/h5-13,16,23H,4,14-15H2,1-3H3/t23?,24-/m1/s1
InChIKeyOLBMOTJUHQZPOW-XMMISQBUSA-N
MW391.49 g/mol
LogP5.54
Rot. Bonds6

About (5R)-5-(2-ethoxy-2-pyridin-2-ylethyl)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazole

(5R)-5-(2-ethoxy-2-pyridin-2-ylethyl)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazole (PubChem CID 15605225) has the molecular formula C24H26FN3O and a molecular weight of 391.49 g/mol. Its IUPAC name is (5R)-5-(2-ethoxy-2-pyridin-2-ylethyl)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazole.

Molecular Properties

Compound Name(5R)-5-(2-ethoxy-2-pyridin-2-ylethyl)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazole
PubChem CID15605225
Molecular FormulaC24H26FN3O
Molecular Weight391.49 g/mol
Exact Mass391.21
IUPAC Name(5R)-5-(2-ethoxy-2-pyridin-2-ylethyl)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazole
SMILESCCOC(C[C@@]1(C)Cc2cnn(-c3ccc(F)cc3)c2C=C1C)c1ccccn1
InChIInChI=1S/C24H26FN3O/c1-4-29-23(21-7-5-6-12-26-21)15-24(3)14-18-16-27-28(22(18)13-17(24)2)20-10-8-19(25)9-11-20/h5-13,16,23H,4,14-15H2,1-3H3/t23?,24-/m1/s1
InChIKeyOLBMOTJUHQZPOW-XMMISQBUSA-N
XLogP5.54
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.49
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Cizolirtine
CID 132412
(R)-[(4aR,5S)-1-(4-Fluoro-phenyl)-4a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[f]indazol-5-yl]-pyridin-4-yl-methanol
CID 10452933
(S)-[(4aR,5S)-1-(4-Fluoro-phenyl)-4a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[f]indazol-5-yl]-(6-fluoro-pyridin-3-yl)-methanol
CID 44401707
(R)-[(4aR,5S)-1-(4-Fluoro-phenyl)-4a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[f]indazol-5-yl]-(6-fluoro-pyridin-3-yl)-methanol
CID 44401853
(2R)-2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]phenyl]morpholine
CID 71656802
1'-[(3-methyl-1-phenylpyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 44561370
1'-[(3-ethyl-1-phenylpyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 44561372
1'-[(3-tert-butyl-1-phenylpyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 44561374
1'-[(3-methyl-1-pyridin-3-ylpyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 44561401
1'-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 44561402
3-[4-[3-(4-Fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]morpholine
CID 53357600
[4-[3-(4-Fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methanol
CID 73293373

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(2-ethoxy-2-pyridin-2-ylethyl)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazole?
The IUPAC name of (5R)-5-(2-ethoxy-2-pyridin-2-ylethyl)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazole (CID 15605225) is (5R)-5-(2-ethoxy-2-pyridin-2-ylethyl)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazole.
What is the SMILES notation for (5R)-5-(2-ethoxy-2-pyridin-2-ylethyl)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazole?
The canonical SMILES for (5R)-5-(2-ethoxy-2-pyridin-2-ylethyl)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazole is CCOC(C[C@@]1(C)Cc2cnn(-c3ccc(F)cc3)c2C=C1C)c1ccccn1.
What is the InChIKey of (5R)-5-(2-ethoxy-2-pyridin-2-ylethyl)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazole?
The InChIKey is OLBMOTJUHQZPOW-XMMISQBUSA-N. The full InChI is InChI=1S/C24H26FN3O/c1-4-29-23(21-7-5-6-12-26-21)15-24(3)14-18-16-27-28(22(18)13-17(24)2)20-10-8-19(25)9-11-20/h5-13,16,23H,4,14-15H2,1-3H3/t23?,24-/m1/s1.
What are the key properties of (5R)-5-(2-ethoxy-2-pyridin-2-ylethyl)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazole?
(5R)-5-(2-ethoxy-2-pyridin-2-ylethyl)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazole has a molecular weight of 391.49 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2-ethoxy-2-pyridin-2-ylethyl)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazole is sourced from PubChem (CID 15605225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).