2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide

C22H25N7O2 — CID 155792193

IUPAC2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide
SMILESCOc1cc(-c2nc(Nc3cc4cn[nH]c4cc3C)n(C)n2)ccc1C(=O)NC(C)C
InChIInChI=1S/C22H25N7O2/c1-12(2)24-21(30)16-7-6-14(10-19(16)31-5)20-26-22(29(4)28-20)25-17-9-15-11-23-27-18(15)8-13(17)3/h6-12H,1-5H3,(H,23,27)(H,24,30)(H,25,26,28)
InChIKeyBEXNSINDJSJQJU-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.56
Rot. Bonds6

About 2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide

2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide (PubChem CID 155792193) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is 2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide
PubChem CID155792193
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC Name2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide
SMILESCOc1cc(-c2nc(Nc3cc4cn[nH]c4cc3C)n(C)n2)ccc1C(=O)NC(C)C
InChIInChI=1S/C22H25N7O2/c1-12(2)24-21(30)16-7-6-14(10-19(16)31-5)20-26-22(29(4)28-20)25-17-9-15-11-23-27-18(15)8-13(17)3/h6-12H,1-5H3,(H,23,27)(H,24,30)(H,25,26,28)
InChIKeyBEXNSINDJSJQJU-UHFFFAOYSA-N
XLogP3.56
TPSA109.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide
CID 139365795
1-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-3-methylbutan-1-one
CID 158405934
4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-methoxybenzamide
CID 153329047
1-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]butan-1-one
CID 159207842
4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1-methylazetidin-3-yl)benzamide
CID 155792080
N-cyclopropyl-2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)methyl]-1,2,4-triazol-3-yl]benzamide
CID 159487949
4-[5-[(4-ethyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide
CID 155792161
3-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]propanoic acid
CID 175049616
4-[1-ethyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 149342561
2-methoxy-4-[1-methyl-5-(1H-pyrazolo[3,4-b]pyridin-5-ylamino)-1,2,4-triazol-3-yl]benzaldehyde
CID 167157799
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
4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 155792250

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide?
The IUPAC name of 2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide (CID 155792193) is 2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide is COc1cc(-c2nc(Nc3cc4cn[nH]c4cc3C)n(C)n2)ccc1C(=O)NC(C)C.
What is the InChIKey of 2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide?
The InChIKey is BEXNSINDJSJQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-12(2)24-21(30)16-7-6-14(10-19(16)31-5)20-26-22(29(4)28-20)25-17-9-15-11-23-27-18(15)8-13(17)3/h6-12H,1-5H3,(H,23,27)(H,24,30)(H,25,26,28).
What are the key properties of 2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide?
2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide has a molecular weight of 419.49 g/mol, XLogP of 3.56, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[1-methyl-5-[(6-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 155792193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).