2-phenyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide

C23H18N6O — CID 22479710

IUPAC2-phenyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide
SMILESO=C(Cc1ccccc1)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C23H18N6O/c30-21(11-15-5-2-1-3-6-15)26-18-8-4-7-16(12-18)22-19-13-17(23-24-14-25-29-23)9-10-20(19)27-28-22/h1-10,12-14H,11H2,(H,26,30)(H,27,28)(H,24,25,29)
InChIKeyZFQBYGFQOMHDPB-UHFFFAOYSA-N
MW394.44 g/mol
LogP4.20
Rot. Bonds5

About 2-phenyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide

2-phenyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide (PubChem CID 22479710) has the molecular formula C23H18N6O and a molecular weight of 394.44 g/mol. Its IUPAC name is 2-phenyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide
PubChem CID22479710
Molecular FormulaC23H18N6O
Molecular Weight394.44 g/mol
Exact Mass394.15
IUPAC Name2-phenyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide
SMILESO=C(Cc1ccccc1)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1
InChIInChI=1S/C23H18N6O/c30-21(11-15-5-2-1-3-6-15)26-18-8-4-7-16(12-18)22-19-13-17(23-24-14-25-29-23)9-10-20(19)27-28-22/h1-10,12-14H,11H2,(H,26,30)(H,27,28)(H,24,25,29)
InChIKeyZFQBYGFQOMHDPB-UHFFFAOYSA-N
XLogP4.20
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-2-one
CID 145946114
N-[5-(1-benzyltriazol-4-yl)-1H-indazol-3-yl]benzamide
CID 25164676
Benzamide, 3-[[4-[(5-methyl-1H-indazol-4-yl)amino]-2-pyrimidinyl]amino]-
CID 23657635
3-({4-[(7-methyl-1H-indazol-4-yl)amino]pyrimidin-2-yl}amino)benzamide
CID 25138046
N-[(1S)-1-[5-(3-amino-1H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-4-(aminomethyl)cyclohexane-1-carboxamide
CID 11561600
[3-(5-(3-[(Dimethylamino)methyl](1H-1,2,4-triazol-5-YL))(1H-indazol-3-YL))phenyl]-N-(4-fluorophenyl)carboxamide
CID 20789070
2-[4-[[4-(1H-indazol-4-ylamino)pyrimidin-2-yl]amino]phenyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 44529771
3-{1-[(2,5-difluorophenyl)acetyl]-2,3-dihydro-1H-indol-5-yl}-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 53466725
3-{1-[(3-fluorophenyl)acetyl]-2,3-dihydro-1H-indol-5-yl}-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 53466952
1-[5-(4-Amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 53467390
1-methyl-3-{1-[(3-methylphenyl)acetyl]-2,3-dihydro-1H-indol-5-yl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 53469630
cyclopropyl-[(3S)-3-[[3-[4-(1H-indazol-5-yl)phenyl]-1,2,4-triazol-4-yl]methyl]pyrrolidin-1-yl]methanone
CID 56944776

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide?
The IUPAC name of 2-phenyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide (CID 22479710) is 2-phenyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide.
What is the SMILES notation for 2-phenyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide?
The canonical SMILES for 2-phenyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide is O=C(Cc1ccccc1)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.
What is the InChIKey of 2-phenyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide?
The InChIKey is ZFQBYGFQOMHDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O/c30-21(11-15-5-2-1-3-6-15)26-18-8-4-7-16(12-18)22-19-13-17(23-24-14-25-29-23)9-10-20(19)27-28-22/h1-10,12-14H,11H2,(H,26,30)(H,27,28)(H,24,25,29).
What are the key properties of 2-phenyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide?
2-phenyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide has a molecular weight of 394.44 g/mol, XLogP of 4.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 22479710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).