2-[2-methoxy-4-[3-[(4-methyl-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide

C22H25N7O3 — CID 139365834

IUPAC2-[2-methoxy-4-[3-[(4-methyl-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide
SMILESCOc1cc(-c2nc(Nc3ccc4[nH]ncc4c3C)n[nH]2)ccc1OCC(=O)NC(C)C
InChIInChI=1S/C22H25N7O3/c1-12(2)24-20(30)11-32-18-8-5-14(9-19(18)31-4)21-26-22(29-28-21)25-16-6-7-17-15(13(16)3)10-23-27-17/h5-10,12H,11H2,1-4H3,(H,23,27)(H,24,30)(H2,25,26,28,29)
InChIKeyHXWWEASZWFWACF-UHFFFAOYSA-N
MW435.49 g/mol
LogP3.31
Rot. Bonds8

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

2-[2-methoxy-4-[3-[(4-methyl-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide (PubChem CID 139365834) has the molecular formula C22H25N7O3 and a molecular weight of 435.49 g/mol. Its IUPAC name is 2-[2-methoxy-4-[3-[(4-methyl-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-methoxy-4-[3-[(4-methyl-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide
PubChem CID139365834
Molecular FormulaC22H25N7O3
Molecular Weight435.49 g/mol
Exact Mass435.20
IUPAC Name2-[2-methoxy-4-[3-[(4-methyl-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide
SMILESCOc1cc(-c2nc(Nc3ccc4[nH]ncc4c3C)n[nH]2)ccc1OCC(=O)NC(C)C
InChIInChI=1S/C22H25N7O3/c1-12(2)24-20(30)11-32-18-8-5-14(9-19(18)31-4)21-26-22(29-28-21)25-16-6-7-17-15(13(16)3)10-23-27-17/h5-10,12H,11H2,1-4H3,(H,23,27)(H,24,30)(H2,25,26,28,29)
InChIKeyHXWWEASZWFWACF-UHFFFAOYSA-N
XLogP3.31
TPSA129.84 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 53.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 139365719
2-[4-[3-(1H-indazol-5-ylamino)-1H-1,2,4-triazol-5-yl]-3-methoxyphenoxy]-N-propan-2-ylacetamide
CID 139365624
N-(1H-indazol-5-yl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55774547
4-[3-[(4-chloro-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 139365838
2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-3-(trifluoromethyl)pyrazol-1-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 167446878
N-(azetidin-3-yl)-2-[2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]phenoxy]acetamide;N-[[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]methyl]acetamide;6-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide;2-[2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide
CID 167637943
2-(4-chloro-2-methylphenoxy)-N-[5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 7614464
2-[3-[5-[(4-chloro-1H-indazol-5-yl)amino]-1,2,4-thiadiazol-3-yl]phenoxy]-N-propan-2-ylacetamide
CID 139481726
2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3-methoxyphenoxy]-N-propan-2-ylacetamide
CID 139365751
N-ethyl-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide
CID 139365795
2-[4-(hydrazinecarbonyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 167446840
2-(4-carbamothioyl-2-methoxyphenoxy)-N-propan-2-ylacetamide
CID 24692965

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[3-[(4-methyl-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-methoxy-4-[3-[(4-methyl-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide (CID 139365834) is 2-[2-methoxy-4-[3-[(4-methyl-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-methoxy-4-[3-[(4-methyl-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-methoxy-4-[3-[(4-methyl-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide is COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3C)n[nH]2)ccc1OCC(=O)NC(C)C.
What is the InChIKey of 2-[2-methoxy-4-[3-[(4-methyl-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide?
The InChIKey is HXWWEASZWFWACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O3/c1-12(2)24-20(30)11-32-18-8-5-14(9-19(18)31-4)21-26-22(29-28-21)25-16-6-7-17-15(13(16)3)10-23-27-17/h5-10,12H,11H2,1-4H3,(H,23,27)(H,24,30)(H2,25,26,28,29).
What are the key properties of 2-[2-methoxy-4-[3-[(4-methyl-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide?
2-[2-methoxy-4-[3-[(4-methyl-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide has a molecular weight of 435.49 g/mol, XLogP of 3.31, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[3-[(4-methyl-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]phenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 139365834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).