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

C23H18N6O2 — CID 22479828

IUPAC4-methoxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3n[nH]c4ccc(-c5ncn[nH]5)cc34)c2)cc1
InChIInChI=1S/C23H18N6O2/c1-31-18-8-5-14(6-9-18)23(30)26-17-4-2-3-15(11-17)21-19-12-16(22-24-13-25-29-22)7-10-20(19)27-28-21/h2-13H,1H3,(H,26,30)(H,27,28)(H,24,25,29)
InChIKeyZEDJDXVYPMACFK-UHFFFAOYSA-N
MW410.44 g/mol
LogP4.28
Rot. Bonds5

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

4-methoxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide (PubChem CID 22479828) has the molecular formula C23H18N6O2 and a molecular weight of 410.44 g/mol. Its IUPAC name is 4-methoxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide
PubChem CID22479828
Molecular FormulaC23H18N6O2
Molecular Weight410.44 g/mol
Exact Mass410.15
IUPAC Name4-methoxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cccc(-c3n[nH]c4ccc(-c5ncn[nH]5)cc34)c2)cc1
InChIInChI=1S/C23H18N6O2/c1-31-18-8-5-14(6-9-18)23(30)26-17-4-2-3-15(11-17)21-19-12-16(22-24-13-25-29-22)7-10-20(19)27-28-21/h2-13H,1H3,(H,26,30)(H,27,28)(H,24,25,29)
InChIKeyZEDJDXVYPMACFK-UHFFFAOYSA-N
XLogP4.28
TPSA108.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea
CID 11187101
3-hydroxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide
CID 142662883
4-[[3-(4-methoxyphenyl)-1H-indazol-5-yl]carbamoyl]benzoic acid
CID 22479778
3-(3-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
CID 21092512
3-(methoxymethyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
CID 136525641
(1R,2S)-2-hydroxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]-2,3-dihydro-1H-indene-1-carboxamide
CID 20788996
N-cyclobutyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
CID 20789123
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide
CID 2810335
4-methoxy-N-[3-[5-[(4-methyl-1H-indazol-5-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]benzamide
CID 145146561
N-(2,2,6,6-tetramethylpiperidin-4-yl)-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide
CID 11408133
3-[3-[(3,5-dichlorobenzoyl)amino]phenyl]-1H-indazole-5-carboxamide
CID 58863539
methyl 4-[[3-(4-fluorophenyl)-1H-indazol-5-yl]carbamoyl]benzoate
CID 22479901

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide (CID 22479828) is 4-methoxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide is COc1ccc(C(=O)Nc2cccc(-c3n[nH]c4ccc(-c5ncn[nH]5)cc34)c2)cc1.
What is the InChIKey of 4-methoxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide?
The InChIKey is ZEDJDXVYPMACFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O2/c1-31-18-8-5-14(6-9-18)23(30)26-17-4-2-3-15(11-17)21-19-12-16(22-24-13-25-29-22)7-10-20(19)27-28-21/h2-13H,1H3,(H,26,30)(H,27,28)(H,24,25,29).
What are the key properties of 4-methoxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide?
4-methoxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide has a molecular weight of 410.44 g/mol, XLogP of 4.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]benzamide is sourced from PubChem (CID 22479828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).