2-[6-phenylmethoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]ethyl acetate

C25H21F3N4O4 — CID 151656862

IUPAC2-[6-phenylmethoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]ethyl acetate
SMILESCC(=O)OCCn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(OCc3ccccc3)cc2n1
InChIInChI=1S/C25H21F3N4O4/c1-16(33)35-11-10-32-14-18-12-21(30-24(34)19-8-5-9-23(29-19)25(26,27)28)22(13-20(18)31-32)36-15-17-6-3-2-4-7-17/h2-9,12-14H,10-11,15H2,1H3,(H,30,34)
InChIKeyQVRKRYUPIOHKRR-UHFFFAOYSA-N
MW498.46 g/mol
LogP4.84
Rot. Bonds8

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

2-[6-phenylmethoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]ethyl acetate (PubChem CID 151656862) has the molecular formula C25H21F3N4O4 and a molecular weight of 498.46 g/mol. Its IUPAC name is 2-[6-phenylmethoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]ethyl acetate.

Molecular Properties

Compound Name2-[6-phenylmethoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]ethyl acetate
PubChem CID151656862
Molecular FormulaC25H21F3N4O4
Molecular Weight498.46 g/mol
Exact Mass498.15
IUPAC Name2-[6-phenylmethoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]ethyl acetate
SMILESCC(=O)OCCn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(OCc3ccccc3)cc2n1
InChIInChI=1S/C25H21F3N4O4/c1-16(33)35-11-10-32-14-18-12-21(30-24(34)19-8-5-9-23(29-19)25(26,27)28)22(13-20(18)31-32)36-15-17-6-3-2-4-7-17/h2-9,12-14H,10-11,15H2,1H3,(H,30,34)
InChIKeyQVRKRYUPIOHKRR-UHFFFAOYSA-N
XLogP4.84
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.46
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

benzyl 2-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]acetate
CID 150212264
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
ethyl 2-[2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]oxyacetate
CID 162566837
N-[2-(2-methoxyethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 150263020
benzyl 2-[5-[[6-(2-hydroxypropan-2-yl)pyridine-2-carbonyl]amino]-6-methoxyindazol-2-yl]acetate
CID 118182618
N-[6-hydroxy-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 137199891
N-[6-ethoxy-2-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 144865171
methyl 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxylate
CID 121364952
ethyl 2-[2-(2-morpholin-4-yl-2-oxoethyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]oxyacetate
CID 122650745
N-[2-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-6-ethoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118182517
N-[2-[2-[2-(methylamino)ethylamino]-2-oxoethyl]-6-(2-methylpropoxy)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 134422864

Frequently Asked Questions

What is the IUPAC name of 2-[6-phenylmethoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]ethyl acetate?
The IUPAC name of 2-[6-phenylmethoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]ethyl acetate (CID 151656862) is 2-[6-phenylmethoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]ethyl acetate.
What is the SMILES notation for 2-[6-phenylmethoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]ethyl acetate?
The canonical SMILES for 2-[6-phenylmethoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]ethyl acetate is CC(=O)OCCn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(OCc3ccccc3)cc2n1.
What is the InChIKey of 2-[6-phenylmethoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]ethyl acetate?
The InChIKey is QVRKRYUPIOHKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N4O4/c1-16(33)35-11-10-32-14-18-12-21(30-24(34)19-8-5-9-23(29-19)25(26,27)28)22(13-20(18)31-32)36-15-17-6-3-2-4-7-17/h2-9,12-14H,10-11,15H2,1H3,(H,30,34).
What are the key properties of 2-[6-phenylmethoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]ethyl acetate?
2-[6-phenylmethoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]ethyl acetate has a molecular weight of 498.46 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-phenylmethoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]ethyl acetate is sourced from PubChem (CID 151656862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).