(2R)-2-(1-ethyl-4-fluoroindazol-6-yl)-1,2-diphenylethanone

C23H19FN2O — CID 162405258

IUPAC(2R)-2-(1-ethyl-4-fluoroindazol-6-yl)-1,2-diphenylethanone
SMILESCCn1ncc2c(F)cc([C@H](C(=O)c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C23H19FN2O/c1-2-26-21-14-18(13-20(24)19(21)15-25-26)22(16-9-5-3-6-10-16)23(27)17-11-7-4-8-12-17/h3-15,22H,2H2,1H3/t22-/m1/s1
InChIKeyJEDPVKCCSCQLFD-JOCHJYFZSA-N
MW358.42 g/mol
LogP5.21
Rot. Bonds5

About (2R)-2-(1-ethyl-4-fluoroindazol-6-yl)-1,2-diphenylethanone

(2R)-2-(1-ethyl-4-fluoroindazol-6-yl)-1,2-diphenylethanone (PubChem CID 162405258) has the molecular formula C23H19FN2O and a molecular weight of 358.42 g/mol. Its IUPAC name is (2R)-2-(1-ethyl-4-fluoroindazol-6-yl)-1,2-diphenylethanone.

Molecular Properties

Compound Name(2R)-2-(1-ethyl-4-fluoroindazol-6-yl)-1,2-diphenylethanone
PubChem CID162405258
Molecular FormulaC23H19FN2O
Molecular Weight358.42 g/mol
Exact Mass358.15
IUPAC Name(2R)-2-(1-ethyl-4-fluoroindazol-6-yl)-1,2-diphenylethanone
SMILESCCn1ncc2c(F)cc([C@H](C(=O)c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C23H19FN2O/c1-2-26-21-14-18(13-20(24)19(21)15-25-26)22(16-9-5-3-6-10-16)23(27)17-11-7-4-8-12-17/h3-15,22H,2H2,1H3/t22-/m1/s1
InChIKeyJEDPVKCCSCQLFD-JOCHJYFZSA-N
XLogP5.21
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.42
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Thj 2201
CID 91864533
1-Naphthalenyl(1-pentyl-1H-indazol-3-yl)methanone
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1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
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N-(3,4-difluorophenyl)-2-methylindazole-5-carboxamide
CID 77844721
2-Phenyl-2-(5-phenyl-1-pyrazolyl)acetophenone
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14-(2-Aminoethyl)-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one
CID 46907250
4-biphenylyl{1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}methanone
CID 16187239
{1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}(2-fluoro-4-biphenylyl)methanone
CID 16190887
6-[[4-(4-fluorobenzoyl)piperidin-1-yl]methyl]-1-methyl-6,7-dihydro-5H-indazol-4-one
CID 44441218
3-[5-(2-fluoroanilino)indazol-1-yl]-N-(3-methylphenyl)benzamide
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CID 71602820

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-ethyl-4-fluoroindazol-6-yl)-1,2-diphenylethanone?
The IUPAC name of (2R)-2-(1-ethyl-4-fluoroindazol-6-yl)-1,2-diphenylethanone (CID 162405258) is (2R)-2-(1-ethyl-4-fluoroindazol-6-yl)-1,2-diphenylethanone.
What is the SMILES notation for (2R)-2-(1-ethyl-4-fluoroindazol-6-yl)-1,2-diphenylethanone?
The canonical SMILES for (2R)-2-(1-ethyl-4-fluoroindazol-6-yl)-1,2-diphenylethanone is CCn1ncc2c(F)cc([C@H](C(=O)c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of (2R)-2-(1-ethyl-4-fluoroindazol-6-yl)-1,2-diphenylethanone?
The InChIKey is JEDPVKCCSCQLFD-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H19FN2O/c1-2-26-21-14-18(13-20(24)19(21)15-25-26)22(16-9-5-3-6-10-16)23(27)17-11-7-4-8-12-17/h3-15,22H,2H2,1H3/t22-/m1/s1.
What are the key properties of (2R)-2-(1-ethyl-4-fluoroindazol-6-yl)-1,2-diphenylethanone?
(2R)-2-(1-ethyl-4-fluoroindazol-6-yl)-1,2-diphenylethanone has a molecular weight of 358.42 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-ethyl-4-fluoroindazol-6-yl)-1,2-diphenylethanone is sourced from PubChem (CID 162405258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).