benzyl 2-[5-[[6-(2-hydroxypropan-2-yl)pyridine-2-carbonyl]amino]-6-methoxyindazol-2-yl]acetate

C26H26N4O5 — CID 118182618

IUPACbenzyl 2-[5-[[6-(2-hydroxypropan-2-yl)pyridine-2-carbonyl]amino]-6-methoxyindazol-2-yl]acetate
SMILESCOc1cc2nn(CC(=O)OCc3ccccc3)cc2cc1NC(=O)c1cccc(C(C)(C)O)n1
InChIInChI=1S/C26H26N4O5/c1-26(2,33)23-11-7-10-19(27-23)25(32)28-21-12-18-14-30(29-20(18)13-22(21)34-3)15-24(31)35-16-17-8-5-4-6-9-17/h4-14,33H,15-16H2,1-3H3,(H,28,32)
InChIKeyIWCRIKRPHQQXSD-UHFFFAOYSA-N
MW474.52 g/mol
LogP3.66
Rot. Bonds8

About benzyl 2-[5-[[6-(2-hydroxypropan-2-yl)pyridine-2-carbonyl]amino]-6-methoxyindazol-2-yl]acetate

benzyl 2-[5-[[6-(2-hydroxypropan-2-yl)pyridine-2-carbonyl]amino]-6-methoxyindazol-2-yl]acetate (PubChem CID 118182618) has the molecular formula C26H26N4O5 and a molecular weight of 474.52 g/mol. Its IUPAC name is benzyl 2-[5-[[6-(2-hydroxypropan-2-yl)pyridine-2-carbonyl]amino]-6-methoxyindazol-2-yl]acetate.

Molecular Properties

Compound Namebenzyl 2-[5-[[6-(2-hydroxypropan-2-yl)pyridine-2-carbonyl]amino]-6-methoxyindazol-2-yl]acetate
PubChem CID118182618
Molecular FormulaC26H26N4O5
Molecular Weight474.52 g/mol
Exact Mass474.19
IUPAC Namebenzyl 2-[5-[[6-(2-hydroxypropan-2-yl)pyridine-2-carbonyl]amino]-6-methoxyindazol-2-yl]acetate
SMILESCOc1cc2nn(CC(=O)OCc3ccccc3)cc2cc1NC(=O)c1cccc(C(C)(C)O)n1
InChIInChI=1S/C26H26N4O5/c1-26(2,33)23-11-7-10-19(27-23)25(32)28-21-12-18-14-30(29-20(18)13-22(21)34-3)15-24(31)35-16-17-8-5-4-6-9-17/h4-14,33H,15-16H2,1-3H3,(H,28,32)
InChIKeyIWCRIKRPHQQXSD-UHFFFAOYSA-N
XLogP3.66
TPSA115.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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
2-[6-methoxy-5-[(6-methylpyridine-2-carbonyl)amino]indazol-2-yl]acetic acid
CID 118172746
N-[2-(2-iodoethyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 164568000
6-(2-hydroxypropan-2-yl)-N-[6-methoxy-2-(oxan-4-yl)indazol-5-yl]pyridine-2-carboxamide
CID 137377513
2-[6-phenylmethoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]ethyl acetate
CID 151656862
6-(2-fluoropropan-2-yl)-N-[2-[4-(hydroxymethyl)cyclohexyl]-6-methoxyindazol-5-yl]pyridine-2-carboxamide
CID 155438263
ethyl 2-[2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]oxyacetate
CID 162566837
N-[2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 129283839
6-amino-N-[6-ethoxy-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]pyridine-2-carboxamide
CID 129283899
N-[2-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-6-ethoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118182517
methyl 3-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclobutane-1-carboxylate
CID 154970408

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[5-[[6-(2-hydroxypropan-2-yl)pyridine-2-carbonyl]amino]-6-methoxyindazol-2-yl]acetate?
The IUPAC name of benzyl 2-[5-[[6-(2-hydroxypropan-2-yl)pyridine-2-carbonyl]amino]-6-methoxyindazol-2-yl]acetate (CID 118182618) is benzyl 2-[5-[[6-(2-hydroxypropan-2-yl)pyridine-2-carbonyl]amino]-6-methoxyindazol-2-yl]acetate.
What is the SMILES notation for benzyl 2-[5-[[6-(2-hydroxypropan-2-yl)pyridine-2-carbonyl]amino]-6-methoxyindazol-2-yl]acetate?
The canonical SMILES for benzyl 2-[5-[[6-(2-hydroxypropan-2-yl)pyridine-2-carbonyl]amino]-6-methoxyindazol-2-yl]acetate is COc1cc2nn(CC(=O)OCc3ccccc3)cc2cc1NC(=O)c1cccc(C(C)(C)O)n1.
What is the InChIKey of benzyl 2-[5-[[6-(2-hydroxypropan-2-yl)pyridine-2-carbonyl]amino]-6-methoxyindazol-2-yl]acetate?
The InChIKey is IWCRIKRPHQQXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O5/c1-26(2,33)23-11-7-10-19(27-23)25(32)28-21-12-18-14-30(29-20(18)13-22(21)34-3)15-24(31)35-16-17-8-5-4-6-9-17/h4-14,33H,15-16H2,1-3H3,(H,28,32).
What are the key properties of benzyl 2-[5-[[6-(2-hydroxypropan-2-yl)pyridine-2-carbonyl]amino]-6-methoxyindazol-2-yl]acetate?
benzyl 2-[5-[[6-(2-hydroxypropan-2-yl)pyridine-2-carbonyl]amino]-6-methoxyindazol-2-yl]acetate has a molecular weight of 474.52 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[5-[[6-(2-hydroxypropan-2-yl)pyridine-2-carbonyl]amino]-6-methoxyindazol-2-yl]acetate is sourced from PubChem (CID 118182618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).