methyl 5-[[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]amino]-1H-indazole-3-carboxylate

C19H14Cl2N6O3 — CID 86887480

IUPACmethyl 5-[[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]amino]-1H-indazole-3-carboxylate
SMILESCOC(=O)c1n[nH]c2ccc(NC(=O)c3nc(C)n(-c4c(Cl)cccc4Cl)n3)cc12
InChIInChI=1S/C19H14Cl2N6O3/c1-9-22-17(26-27(9)16-12(20)4-3-5-13(16)21)18(28)23-10-6-7-14-11(8-10)15(25-24-14)19(29)30-2/h3-8H,1-2H3,(H,23,28)(H,24,25)
InChIKeyRIEVLWASOUCKHT-UHFFFAOYSA-N
MW445.27 g/mol
LogP3.80
Rot. Bonds4

About methyl 5-[[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]amino]-1H-indazole-3-carboxylate

methyl 5-[[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]amino]-1H-indazole-3-carboxylate (PubChem CID 86887480) has the molecular formula C19H14Cl2N6O3 and a molecular weight of 445.27 g/mol. Its IUPAC name is methyl 5-[[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]amino]-1H-indazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]amino]-1H-indazole-3-carboxylate
PubChem CID86887480
Molecular FormulaC19H14Cl2N6O3
Molecular Weight445.27 g/mol
Exact Mass444.05
IUPAC Namemethyl 5-[[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]amino]-1H-indazole-3-carboxylate
SMILESCOC(=O)c1n[nH]c2ccc(NC(=O)c3nc(C)n(-c4c(Cl)cccc4Cl)n3)cc12
InChIInChI=1S/C19H14Cl2N6O3/c1-9-22-17(26-27(9)16-12(20)4-3-5-13(16)21)18(28)23-10-6-7-14-11(8-10)15(25-24-14)19(29)30-2/h3-8H,1-2H3,(H,23,28)(H,24,25)
InChIKeyRIEVLWASOUCKHT-UHFFFAOYSA-N
XLogP3.80
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.27
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 5-[[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]amino]-1H-indazole-3-carboxylate with MolForge

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Related Compounds

1-(2,6-dichlorophenyl)-N-(3-methoxy-6-methyl-2-pyridinyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 75468210
methyl 5-[(4-cyanobenzoyl)amino]-1H-indazole-3-carboxylate
CID 35372978
methyl 5-(1,2,2-tricyanoethenylamino)-1H-indazole-3-carboxylate
CID 168609857
methyl 5-[(2-prop-2-enylsulfanylacetyl)amino]-1H-indazole-3-carboxylate
CID 51089012
N-(2-aminoethyl)-1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 119385538
1-(2,6-dichlorophenyl)-5-methyl-N-[2-(methylamino)ethyl]-1,2,4-triazole-3-carboxamide;hydrochloride
CID 119504346
(3-carbamoyl-1H-indazol-5-yl)carbamic acid
CID 151772440
methyl 5-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-1H-indazole-3-carboxylate
CID 55567750
N-(3-amino-1H-indazol-5-yl)-2,5-dichlorobenzamide
CID 155557901
1-(3,5-dichlorophenyl)-N-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 1473971
N-(3-amino-1H-indazol-5-yl)-2,4-dichlorobenzamide
CID 11666910
N-[3-chloro-4-(difluoromethoxy)phenyl]-5-methyl-1H-indazole-3-carboxamide
CID 78859177

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]amino]-1H-indazole-3-carboxylate?
The IUPAC name of methyl 5-[[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]amino]-1H-indazole-3-carboxylate (CID 86887480) is methyl 5-[[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]amino]-1H-indazole-3-carboxylate.
What is the SMILES notation for methyl 5-[[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]amino]-1H-indazole-3-carboxylate?
The canonical SMILES for methyl 5-[[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]amino]-1H-indazole-3-carboxylate is COC(=O)c1n[nH]c2ccc(NC(=O)c3nc(C)n(-c4c(Cl)cccc4Cl)n3)cc12.
What is the InChIKey of methyl 5-[[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]amino]-1H-indazole-3-carboxylate?
The InChIKey is RIEVLWASOUCKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N6O3/c1-9-22-17(26-27(9)16-12(20)4-3-5-13(16)21)18(28)23-10-6-7-14-11(8-10)15(25-24-14)19(29)30-2/h3-8H,1-2H3,(H,23,28)(H,24,25).
What are the key properties of methyl 5-[[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]amino]-1H-indazole-3-carboxylate?
methyl 5-[[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]amino]-1H-indazole-3-carboxylate has a molecular weight of 445.27 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]amino]-1H-indazole-3-carboxylate is sourced from PubChem (CID 86887480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).