methyl 4-[[3-fluoro-7-hydroxy-5-(methoxycarbonylamino)indazol-1-yl]methyl]-3-methoxybenzoate

C19H18FN3O6 — CID 156812873

IUPACmethyl 4-[[3-fluoro-7-hydroxy-5-(methoxycarbonylamino)indazol-1-yl]methyl]-3-methoxybenzoate
SMILESCOC(=O)Nc1cc(O)c2c(c1)c(F)nn2Cc1ccc(C(=O)OC)cc1OC
InChIInChI=1S/C19H18FN3O6/c1-27-15-6-10(18(25)28-2)4-5-11(15)9-23-16-13(17(20)22-23)7-12(8-14(16)24)21-19(26)29-3/h4-8,24H,9H2,1-3H3,(H,21,26)
InChIKeyFGOMVTLIUORNSN-UHFFFAOYSA-N
MW403.37 g/mol
LogP2.90
Rot. Bonds5

About methyl 4-[[3-fluoro-7-hydroxy-5-(methoxycarbonylamino)indazol-1-yl]methyl]-3-methoxybenzoate

methyl 4-[[3-fluoro-7-hydroxy-5-(methoxycarbonylamino)indazol-1-yl]methyl]-3-methoxybenzoate (PubChem CID 156812873) has the molecular formula C19H18FN3O6 and a molecular weight of 403.37 g/mol. Its IUPAC name is methyl 4-[[3-fluoro-7-hydroxy-5-(methoxycarbonylamino)indazol-1-yl]methyl]-3-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-[[3-fluoro-7-hydroxy-5-(methoxycarbonylamino)indazol-1-yl]methyl]-3-methoxybenzoate
PubChem CID156812873
Molecular FormulaC19H18FN3O6
Molecular Weight403.37 g/mol
Exact Mass403.12
IUPAC Namemethyl 4-[[3-fluoro-7-hydroxy-5-(methoxycarbonylamino)indazol-1-yl]methyl]-3-methoxybenzoate
SMILESCOC(=O)Nc1cc(O)c2c(c1)c(F)nn2Cc1ccc(C(=O)OC)cc1OC
InChIInChI=1S/C19H18FN3O6/c1-27-15-6-10(18(25)28-2)4-5-11(15)9-23-16-13(17(20)22-23)7-12(8-14(16)24)21-19(26)29-3/h4-8,24H,9H2,1-3H3,(H,21,26)
InChIKeyFGOMVTLIUORNSN-UHFFFAOYSA-N
XLogP2.90
TPSA111.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 4-[[3-fluoro-7-hydroxy-5-(methoxycarbonylamino)indazol-1-yl]methyl]-3-methoxybenzoate with MolForge

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Related Compounds

methyl 4-[[7-(butylamino)-3-iodo-5-(methoxycarbonylamino)pyrazolo[4,5-d]pyrimidin-1-yl]methyl]-3-methoxybenzoate
CID 156813258
7-(butylamino)-5-(methoxycarbonylamino)-1-[(2-methoxy-4-methoxycarbonylphenyl)methyl]pyrazolo[4,5-d]pyrimidine-3-carboxylic acid
CID 165370774
methyl 3-methoxy-4-(methoxymethyl)benzoate
CID 134128516
methyl 4-(indazol-2-ylmethyl)-3-methoxybenzoate
CID 21029858
methyl 3-[[3-bromo-5-(methoxycarbonylamino)-7-oxo-6H-pyrazolo[4,5-d]pyrimidin-1-yl]methyl]-4-methoxybenzoate
CID 165370593
[(2-methoxy-4-methoxycarbonylphenyl)methylamino]carbamic acid
CID 166681453
methyl 3-methoxy-4-[[5-[3-[[3-[(2-methoxy-4-methoxycarbonylphenyl)methyl]-1-methylindol-5-yl]carbamoyloxy]propoxycarbonylamino]-1-methylindol-3-yl]methyl]benzoate
CID 59065563
methyl 4-(2-aminoethyl)-3-methoxybenzoate;hydrochloride
CID 67396298
methyl 4-methoxy-3-[[5-(methoxycarbonylamino)-7-oxo-6H-pyrazolo[4,5-d]pyrimidin-1-yl]methyl]benzoate
CID 165370630
methyl 3-[[3-bromo-7-(butylamino)-5-(methoxycarbonylamino)pyrazolo[4,5-d]pyrimidin-1-yl]methyl]-4-methoxybenzoate
CID 165370607
methyl 4-[[7-(cyclopentyloxycarbonylamino)-4-oxoquinolin-1-yl]methyl]-3-methoxybenzoate
CID 10575540
methyl 3-methoxy-4-[(6-nitrobenzimidazol-1-yl)methyl]benzoate
CID 14763096

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-fluoro-7-hydroxy-5-(methoxycarbonylamino)indazol-1-yl]methyl]-3-methoxybenzoate?
The IUPAC name of methyl 4-[[3-fluoro-7-hydroxy-5-(methoxycarbonylamino)indazol-1-yl]methyl]-3-methoxybenzoate (CID 156812873) is methyl 4-[[3-fluoro-7-hydroxy-5-(methoxycarbonylamino)indazol-1-yl]methyl]-3-methoxybenzoate.
What is the SMILES notation for methyl 4-[[3-fluoro-7-hydroxy-5-(methoxycarbonylamino)indazol-1-yl]methyl]-3-methoxybenzoate?
The canonical SMILES for methyl 4-[[3-fluoro-7-hydroxy-5-(methoxycarbonylamino)indazol-1-yl]methyl]-3-methoxybenzoate is COC(=O)Nc1cc(O)c2c(c1)c(F)nn2Cc1ccc(C(=O)OC)cc1OC.
What is the InChIKey of methyl 4-[[3-fluoro-7-hydroxy-5-(methoxycarbonylamino)indazol-1-yl]methyl]-3-methoxybenzoate?
The InChIKey is FGOMVTLIUORNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O6/c1-27-15-6-10(18(25)28-2)4-5-11(15)9-23-16-13(17(20)22-23)7-12(8-14(16)24)21-19(26)29-3/h4-8,24H,9H2,1-3H3,(H,21,26).
What are the key properties of methyl 4-[[3-fluoro-7-hydroxy-5-(methoxycarbonylamino)indazol-1-yl]methyl]-3-methoxybenzoate?
methyl 4-[[3-fluoro-7-hydroxy-5-(methoxycarbonylamino)indazol-1-yl]methyl]-3-methoxybenzoate has a molecular weight of 403.37 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-fluoro-7-hydroxy-5-(methoxycarbonylamino)indazol-1-yl]methyl]-3-methoxybenzoate is sourced from PubChem (CID 156812873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).