2-[6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-2-yl]acetic acid

C15H19N3O5 — CID 118172850

IUPAC2-[6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-2-yl]acetic acid
SMILESCOc1cc2nn(CC(=O)O)cc2cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H19N3O5/c1-15(2,3)23-14(21)16-11-5-9-7-18(8-13(19)20)17-10(9)6-12(11)22-4/h5-7H,8H2,1-4H3,(H,16,21)(H,19,20)
InChIKeyVXDQNUCPFCPEJR-UHFFFAOYSA-N
MW321.33 g/mol
LogP2.48
Rot. Bonds4

About 2-[6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-2-yl]acetic acid

2-[6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-2-yl]acetic acid (PubChem CID 118172850) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is 2-[6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-2-yl]acetic acid
PubChem CID118172850
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name2-[6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-2-yl]acetic acid
SMILESCOc1cc2nn(CC(=O)O)cc2cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H19N3O5/c1-15(2,3)23-14(21)16-11-5-9-7-18(8-13(19)20)17-10(9)6-12(11)22-4/h5-7H,8H2,1-4H3,(H,16,21)(H,19,20)
InChIKeyVXDQNUCPFCPEJR-UHFFFAOYSA-N
XLogP2.48
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-propan-2-yloxyindazol-2-yl]acetate
CID 118182503
2-[6-methoxy-5-[(6-methylpyridine-2-carbonyl)amino]indazol-2-yl]acetic acid
CID 118172746
tert-butyl N-[6-fluoro-2-(2-iodoethyl)indazol-5-yl]carbamate
CID 164567715
2,4-dimethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 45356710
2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indazol-2-yl]acetic acid
CID 153087783
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,4-triazol-1-yl]acetic acid
CID 129117447
2-[4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
CID 117451386
ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-2-yl]acetate
CID 118182502
N-[2-(2-hydroxyethyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 129283862
benzyl 2-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]acetate
CID 150212264
2-[5-[2-(6-bromo-2-pyridinyl)-2-oxoethyl]-6-methoxyindazol-2-yl]acetic acid
CID 149455991
N-(6-methoxy-2-methylindazol-5-yl)butanamide
CID 177040476

Frequently Asked Questions

What is the IUPAC name of 2-[6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-2-yl]acetic acid?
The IUPAC name of 2-[6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-2-yl]acetic acid (CID 118172850) is 2-[6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-2-yl]acetic acid.
What is the SMILES notation for 2-[6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-2-yl]acetic acid?
The canonical SMILES for 2-[6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-2-yl]acetic acid is COc1cc2nn(CC(=O)O)cc2cc1NC(=O)OC(C)(C)C.
What is the InChIKey of 2-[6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-2-yl]acetic acid?
The InChIKey is VXDQNUCPFCPEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5/c1-15(2,3)23-14(21)16-11-5-9-7-18(8-13(19)20)17-10(9)6-12(11)22-4/h5-7H,8H2,1-4H3,(H,16,21)(H,19,20).
What are the key properties of 2-[6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-2-yl]acetic acid?
2-[6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-2-yl]acetic acid has a molecular weight of 321.33 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-2-yl]acetic acid is sourced from PubChem (CID 118172850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).