N-[[(5S)-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]methyl]-2-phenylacetamide

C23H22FN3O — CID 66919372

IUPACN-[[(5S)-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]methyl]-2-phenylacetamide
SMILESC[C@@]1(CNC(=O)Cc2ccccc2)C=Cc2c(cnn2-c2ccc(F)cc2)C1
InChIInChI=1S/C23H22FN3O/c1-23(16-25-22(28)13-17-5-3-2-4-6-17)12-11-21-18(14-23)15-26-27(21)20-9-7-19(24)8-10-20/h2-12,15H,13-14,16H2,1H3,(H,25,28)/t23-/m1/s1
InChIKeySUAPHZKDUDRVQY-HSZRJFAPSA-N
MW375.45 g/mol
LogP3.95
Rot. Bonds5

About N-[[(5S)-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]methyl]-2-phenylacetamide

N-[[(5S)-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]methyl]-2-phenylacetamide (PubChem CID 66919372) has the molecular formula C23H22FN3O and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[[(5S)-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[(5S)-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]methyl]-2-phenylacetamide
PubChem CID66919372
Molecular FormulaC23H22FN3O
Molecular Weight375.45 g/mol
Exact Mass375.17
IUPAC NameN-[[(5S)-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]methyl]-2-phenylacetamide
SMILESC[C@@]1(CNC(=O)Cc2ccccc2)C=Cc2c(cnn2-c2ccc(F)cc2)C1
InChIInChI=1S/C23H22FN3O/c1-23(16-25-22(28)13-17-5-3-2-4-6-17)12-11-21-18(14-23)15-26-27(21)20-9-7-19(24)8-10-20/h2-12,15H,13-14,16H2,1H3,(H,25,28)/t23-/m1/s1
InChIKeySUAPHZKDUDRVQY-HSZRJFAPSA-N
XLogP3.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 66919657
1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanone
CID 66919599
(2R)-1-[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-2-methyl-4-phenylbutan-2-ol
CID 66919420
1-[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-4-methyl-4-phenylpentan-2-ol
CID 66919562
5-[(2R)-2-ethoxy-2-phenylethyl]-1-(4-fluorophenyl)-5-methyl-4H-indazole
CID 66919437
(1S)-1-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-2-phenylethanol
CID 15605657
N-benzyl-2-[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]ethanamine
CID 66919606
N-[[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]methyl]butanamide;N-[[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]methyl]cyclopropanecarboxamide;N-[[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]methyl]pent-4-enamide;N-[[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]methyl]-2-phenylacetamide
CID 162049178
(4aS)-6-benzyl-1-(4-fluorophenyl)-4a-methyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 58333317
6-benzyl-1-(4-fluorophenyl)-4a-methyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 67096931
(4aR,5S)-N-benzyl-1-(4-fluorophenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazole-5-carboxamide;(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazole-5-carboxylic acid;phenylmethanamine
CID 160688348
(4aS)-1-(4-fluorophenyl)-4a-methyl-6-(2-phenylethyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 163638478

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]methyl]-2-phenylacetamide?
The IUPAC name of N-[[(5S)-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]methyl]-2-phenylacetamide (CID 66919372) is N-[[(5S)-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]methyl]-2-phenylacetamide.
What is the SMILES notation for N-[[(5S)-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]methyl]-2-phenylacetamide?
The canonical SMILES for N-[[(5S)-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]methyl]-2-phenylacetamide is C[C@@]1(CNC(=O)Cc2ccccc2)C=Cc2c(cnn2-c2ccc(F)cc2)C1.
What is the InChIKey of N-[[(5S)-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]methyl]-2-phenylacetamide?
The InChIKey is SUAPHZKDUDRVQY-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H22FN3O/c1-23(16-25-22(28)13-17-5-3-2-4-6-17)12-11-21-18(14-23)15-26-27(21)20-9-7-19(24)8-10-20/h2-12,15H,13-14,16H2,1H3,(H,25,28)/t23-/m1/s1.
What are the key properties of N-[[(5S)-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]methyl]-2-phenylacetamide?
N-[[(5S)-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]methyl]-2-phenylacetamide has a molecular weight of 375.45 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]methyl]-2-phenylacetamide is sourced from PubChem (CID 66919372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).