N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-[(3-fluorophenyl)methyl]indazole-3-carboxamide

C24H21FN4O2 — CID 58124695

IUPACN-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-[(3-fluorophenyl)methyl]indazole-3-carboxamide
SMILESNC(=O)C(Cc1ccccc1)NC(=O)c1nn(Cc2cccc(F)c2)c2ccccc12
InChIInChI=1S/C24H21FN4O2/c25-18-10-6-9-17(13-18)15-29-21-12-5-4-11-19(21)22(28-29)24(31)27-20(23(26)30)14-16-7-2-1-3-8-16/h1-13,20H,14-15H2,(H2,26,30)(H,27,31)
InChIKeyQOGLKDNCZKBLSM-UHFFFAOYSA-N
MW416.46 g/mol
LogP3.05
Rot. Bonds7

About N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-[(3-fluorophenyl)methyl]indazole-3-carboxamide

N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-[(3-fluorophenyl)methyl]indazole-3-carboxamide (PubChem CID 58124695) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-[(3-fluorophenyl)methyl]indazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-[(3-fluorophenyl)methyl]indazole-3-carboxamide
PubChem CID58124695
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC NameN-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-[(3-fluorophenyl)methyl]indazole-3-carboxamide
SMILESNC(=O)C(Cc1ccccc1)NC(=O)c1nn(Cc2cccc(F)c2)c2ccccc12
InChIInChI=1S/C24H21FN4O2/c25-18-10-6-9-17(13-18)15-29-21-12-5-4-11-19(21)22(28-29)24(31)27-20(23(26)30)14-16-7-2-1-3-8-16/h1-13,20H,14-15H2,(H2,26,30)(H,27,31)
InChIKeyQOGLKDNCZKBLSM-UHFFFAOYSA-N
XLogP3.05
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-fluorophenyl)methyl]indazole-3-carboxylic acid
CID 63106124
2-[[2-[[1-[(3-fluorophenyl)methyl]indazole-3-carbonyl]amino]-3,3-dimethylbutanoyl]amino]acetic acid
CID 58124548
methyl 2-[(1-ethyl-6-fluoro-4-oxocinnoline-3-carbonyl)amino]-3-phenylpropanoate
CID 75769672
1-benzylindazole-3-carboxylate
CID 22239042
ethyl (2S)-2-[[1-[(4-fluorophenyl)methyl]indazole-3-carbonyl]amino]-3-methylbutanoate
CID 125181443
1-[2-[[(2S)-1-[(3-chloro-2-fluorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]indazole-3-carboxamide
CID 130299670
N-[1-[(2-amino-2-oxoethyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide
CID 58124519
N-[(2S)-1-(4-carbamoylpiperazin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide
CID 58124698
N-(1-amino-4-methyl-1-oxopentan-2-yl)-1-(cyclohexylmethyl)indazole-3-carboxamide
CID 74951471
1-(cyclopropylmethyl)-N-[9-[(3-fluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]indazole-3-carboxamide
CID 67846101
methyl 2-[[4-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate
CID 75769576
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-5-chloro-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide
CID 70969110

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-[(3-fluorophenyl)methyl]indazole-3-carboxamide?
The IUPAC name of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-[(3-fluorophenyl)methyl]indazole-3-carboxamide (CID 58124695) is N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-[(3-fluorophenyl)methyl]indazole-3-carboxamide.
What is the SMILES notation for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-[(3-fluorophenyl)methyl]indazole-3-carboxamide?
The canonical SMILES for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-[(3-fluorophenyl)methyl]indazole-3-carboxamide is NC(=O)C(Cc1ccccc1)NC(=O)c1nn(Cc2cccc(F)c2)c2ccccc12.
What is the InChIKey of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-[(3-fluorophenyl)methyl]indazole-3-carboxamide?
The InChIKey is QOGLKDNCZKBLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2/c25-18-10-6-9-17(13-18)15-29-21-12-5-4-11-19(21)22(28-29)24(31)27-20(23(26)30)14-16-7-2-1-3-8-16/h1-13,20H,14-15H2,(H2,26,30)(H,27,31).
What are the key properties of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-[(3-fluorophenyl)methyl]indazole-3-carboxamide?
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-[(3-fluorophenyl)methyl]indazole-3-carboxamide has a molecular weight of 416.46 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-[(3-fluorophenyl)methyl]indazole-3-carboxamide is sourced from PubChem (CID 58124695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).