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

C21H23N7O2 — CID 139365795

IUPACN-ethyl-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide
SMILESCCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3C)n(C)n2)cc1OC
InChIInChI=1S/C21H23N7O2/c1-5-22-20(29)14-7-6-13(10-18(14)30-4)19-25-21(28(3)27-19)24-16-8-9-17-15(12(16)2)11-23-26-17/h6-11H,5H2,1-4H3,(H,22,29)(H,23,26)(H,24,25,27)
InChIKeyCWYPJCPCXIQDIZ-UHFFFAOYSA-N
MW405.46 g/mol
LogP3.17
Rot. Bonds6

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

N-ethyl-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide (PubChem CID 139365795) has the molecular formula C21H23N7O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-ethyl-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

Compound NameN-ethyl-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide
PubChem CID139365795
Molecular FormulaC21H23N7O2
Molecular Weight405.46 g/mol
Exact Mass405.19
IUPAC NameN-ethyl-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide
SMILESCCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3C)n(C)n2)cc1OC
InChIInChI=1S/C21H23N7O2/c1-5-22-20(29)14-7-6-13(10-18(14)30-4)19-25-21(28(3)27-19)24-16-8-9-17-15(12(16)2)11-23-26-17/h6-11H,5H2,1-4H3,(H,22,29)(H,23,26)(H,24,25,27)
InChIKeyCWYPJCPCXIQDIZ-UHFFFAOYSA-N
XLogP3.17
TPSA109.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-ethyl-2-methoxybenzamide
CID 153329047
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-[(6-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-propan-2-ylbenzamide
CID 155792193
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-ethyl-4-[1-methyl-5-[(4-prop-1-en-2-yl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide
CID 139348288
1-[4-[5-(1H-indazol-5-ylamino)-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenyl]-3-methylbutan-1-one
CID 158405934
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-[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
2,3-difluoro-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
CID 155792061
N-[5-(2-amino-4-pyridinyl)-2-methyl-1,2,4-triazol-3-yl]-4-methyl-1H-indazol-5-amine
CID 167157745
4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 158284983

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide?
The IUPAC name of N-ethyl-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide (CID 139365795) is N-ethyl-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide.
What is the SMILES notation for N-ethyl-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide?
The canonical SMILES for N-ethyl-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide is CCNC(=O)c1ccc(-c2nc(Nc3ccc4[nH]ncc4c3C)n(C)n2)cc1OC.
What is the InChIKey of N-ethyl-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide?
The InChIKey is CWYPJCPCXIQDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2/c1-5-22-20(29)14-7-6-13(10-18(14)30-4)19-25-21(28(3)27-19)24-16-8-9-17-15(12(16)2)11-23-26-17/h6-11H,5H2,1-4H3,(H,22,29)(H,23,26)(H,24,25,27).
What are the key properties of N-ethyl-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide?
N-ethyl-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide has a molecular weight of 405.46 g/mol, XLogP of 3.17, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-4-[1-methyl-5-[(4-methyl-1H-indazol-5-yl)amino]-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 139365795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).