benzyl 2-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]acetate

C24H19F3N4O4 — CID 150212264

IUPACbenzyl 2-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]acetate
SMILESCOc1cc2nn(CC(=O)OCc3ccccc3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C24H19F3N4O4/c1-34-20-11-18-16(12-31(30-18)13-22(32)35-14-15-6-3-2-4-7-15)10-19(20)29-23(33)17-8-5-9-21(28-17)24(25,26)27/h2-12H,13-14H2,1H3,(H,29,33)
InChIKeyFRSZZSDCRSNABE-UHFFFAOYSA-N
MW484.43 g/mol
LogP4.45
Rot. Bonds7

About benzyl 2-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]acetate

benzyl 2-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]acetate (PubChem CID 150212264) has the molecular formula C24H19F3N4O4 and a molecular weight of 484.43 g/mol. Its IUPAC name is benzyl 2-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]acetate.

Molecular Properties

Compound Namebenzyl 2-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]acetate
PubChem CID150212264
Molecular FormulaC24H19F3N4O4
Molecular Weight484.43 g/mol
Exact Mass484.14
IUPAC Namebenzyl 2-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]acetate
SMILESCOc1cc2nn(CC(=O)OCc3ccccc3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C24H19F3N4O4/c1-34-20-11-18-16(12-31(30-18)13-22(32)35-14-15-6-3-2-4-7-15)10-19(20)29-23(33)17-8-5-9-21(28-17)24(25,26)27/h2-12H,13-14H2,1H3,(H,29,33)
InChIKeyFRSZZSDCRSNABE-UHFFFAOYSA-N
XLogP4.45
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.43
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

benzyl 2-[5-[[6-(2-hydroxypropan-2-yl)pyridine-2-carbonyl]amino]-6-methoxyindazol-2-yl]acetate
CID 118182618
N-[2-(2-hydroxyethyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 129283862
N-[2-(2-iodoethyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 164568000
2-[6-phenylmethoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]ethyl acetate
CID 151656862
N-[2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 129283839
2-[6-methoxy-5-[(6-methylpyridine-2-carbonyl)amino]indazol-2-yl]acetic acid
CID 118172746
methyl 3-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclobutane-1-carboxylate
CID 154970408
N-[2-(4-aminocyclohexyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 162721665
N-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride
CID 175973046
N-[6-ethoxy-2-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 144865171
ethyl 2-[2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]oxyacetate
CID 162566837
ethyl 2-[2-(2-morpholin-4-yl-2-oxoethyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]oxyacetate
CID 122650745

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]acetate?
The IUPAC name of benzyl 2-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]acetate (CID 150212264) is benzyl 2-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]acetate.
What is the SMILES notation for benzyl 2-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]acetate?
The canonical SMILES for benzyl 2-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]acetate is COc1cc2nn(CC(=O)OCc3ccccc3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of benzyl 2-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]acetate?
The InChIKey is FRSZZSDCRSNABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O4/c1-34-20-11-18-16(12-31(30-18)13-22(32)35-14-15-6-3-2-4-7-15)10-19(20)29-23(33)17-8-5-9-21(28-17)24(25,26)27/h2-12H,13-14H2,1H3,(H,29,33).
What are the key properties of benzyl 2-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]acetate?
benzyl 2-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]acetate has a molecular weight of 484.43 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]acetate is sourced from PubChem (CID 150212264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).