2-[4-[5-(1H-indazol-5-ylmethyl)-4-pyridin-2-yl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide

C26H25N7O2 — CID 158064903

IUPAC2-[4-[5-(1H-indazol-5-ylmethyl)-4-pyridin-2-yl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1ccc(-c2nnc(Cc3ccc4[nH]ncc4c3)n2-c2ccccn2)cc1
InChIInChI=1S/C26H25N7O2/c1-17(2)29-25(34)16-35-21-9-7-19(8-10-21)26-32-31-24(33(26)23-5-3-4-12-27-23)14-18-6-11-22-20(13-18)15-28-30-22/h3-13,15,17H,14,16H2,1-2H3,(H,28,30)(H,29,34)
InChIKeyNVQGHCJGSFVEOE-UHFFFAOYSA-N
MW467.53 g/mol
LogP3.70
Rot. Bonds8

About 2-[4-[5-(1H-indazol-5-ylmethyl)-4-pyridin-2-yl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide

2-[4-[5-(1H-indazol-5-ylmethyl)-4-pyridin-2-yl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide (PubChem CID 158064903) has the molecular formula C26H25N7O2 and a molecular weight of 467.53 g/mol. Its IUPAC name is 2-[4-[5-(1H-indazol-5-ylmethyl)-4-pyridin-2-yl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[5-(1H-indazol-5-ylmethyl)-4-pyridin-2-yl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide
PubChem CID158064903
Molecular FormulaC26H25N7O2
Molecular Weight467.53 g/mol
Exact Mass467.21
IUPAC Name2-[4-[5-(1H-indazol-5-ylmethyl)-4-pyridin-2-yl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1ccc(-c2nnc(Cc3ccc4[nH]ncc4c3)n2-c2ccccn2)cc1
InChIInChI=1S/C26H25N7O2/c1-17(2)29-25(34)16-35-21-9-7-19(8-10-21)26-32-31-24(33(26)23-5-3-4-12-27-23)14-18-6-11-22-20(13-18)15-28-30-22/h3-13,15,17H,14,16H2,1-2H3,(H,28,30)(H,29,34)
InChIKeyNVQGHCJGSFVEOE-UHFFFAOYSA-N
XLogP3.70
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-propan-2-ylacetamide
CID 157063432
2-[4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]-3-methoxyphenoxy]-N-propan-2-ylacetamide
CID 162055821
3-[4-[5-(1H-indazol-5-ylmethyl)-4H-pyrazol-3-yl]phenoxy]-N-propan-2-ylpropanamide
CID 159573236
2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-3-methoxyphenoxy]-N-propan-2-ylacetamide
CID 139365624
2-[3-[4-(1H-indazol-5-ylamino)-6-methylpyrimidin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 118334773
2-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 11950170
2-[3-[4-(1H-indazol-5-ylamino)imidazo[5,1-f][1,2,4]triazin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 155227874
2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 139365719
2-[3-fluoro-4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide
CID 153329046
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
2-[3-[7-fluoro-4-(1H-indazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 155227876
2-[3-[4-(diethylamino)-6-(1H-indazol-5-ylamino)pyrimidin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 167297965

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(1H-indazol-5-ylmethyl)-4-pyridin-2-yl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[5-(1H-indazol-5-ylmethyl)-4-pyridin-2-yl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide (CID 158064903) is 2-[4-[5-(1H-indazol-5-ylmethyl)-4-pyridin-2-yl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[5-(1H-indazol-5-ylmethyl)-4-pyridin-2-yl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[5-(1H-indazol-5-ylmethyl)-4-pyridin-2-yl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide is CC(C)NC(=O)COc1ccc(-c2nnc(Cc3ccc4[nH]ncc4c3)n2-c2ccccn2)cc1.
What is the InChIKey of 2-[4-[5-(1H-indazol-5-ylmethyl)-4-pyridin-2-yl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide?
The InChIKey is NVQGHCJGSFVEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O2/c1-17(2)29-25(34)16-35-21-9-7-19(8-10-21)26-32-31-24(33(26)23-5-3-4-12-27-23)14-18-6-11-22-20(13-18)15-28-30-22/h3-13,15,17H,14,16H2,1-2H3,(H,28,30)(H,29,34).
What are the key properties of 2-[4-[5-(1H-indazol-5-ylmethyl)-4-pyridin-2-yl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide?
2-[4-[5-(1H-indazol-5-ylmethyl)-4-pyridin-2-yl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide has a molecular weight of 467.53 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(1H-indazol-5-ylmethyl)-4-pyridin-2-yl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 158064903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).