5-fluoro-7-(methoxymethoxy)-4-(1-methylpyrazol-4-yl)-1H-indazole

C13H13FN4O2 — CID 165117231

IUPAC5-fluoro-7-(methoxymethoxy)-4-(1-methylpyrazol-4-yl)-1H-indazole
SMILESCOCOc1cc(F)c(-c2cnn(C)c2)c2cn[nH]c12
InChIInChI=1S/C13H13FN4O2/c1-18-6-8(4-16-18)12-9-5-15-17-13(9)11(3-10(12)14)20-7-19-2/h3-6H,7H2,1-2H3,(H,15,17)
InChIKeyFKBJHOVHQAHLEO-UHFFFAOYSA-N
MW276.27 g/mol
LogP2.09
Rot. Bonds4

About 5-fluoro-7-(methoxymethoxy)-4-(1-methylpyrazol-4-yl)-1H-indazole

5-fluoro-7-(methoxymethoxy)-4-(1-methylpyrazol-4-yl)-1H-indazole (PubChem CID 165117231) has the molecular formula C13H13FN4O2 and a molecular weight of 276.27 g/mol. Its IUPAC name is 5-fluoro-7-(methoxymethoxy)-4-(1-methylpyrazol-4-yl)-1H-indazole.

Molecular Properties

Compound Name5-fluoro-7-(methoxymethoxy)-4-(1-methylpyrazol-4-yl)-1H-indazole
PubChem CID165117231
Molecular FormulaC13H13FN4O2
Molecular Weight276.27 g/mol
Exact Mass276.10
IUPAC Name5-fluoro-7-(methoxymethoxy)-4-(1-methylpyrazol-4-yl)-1H-indazole
SMILESCOCOc1cc(F)c(-c2cnn(C)c2)c2cn[nH]c12
InChIInChI=1S/C13H13FN4O2/c1-18-6-8(4-16-18)12-9-5-15-17-13(9)11(3-10(12)14)20-7-19-2/h3-6H,7H2,1-2H3,(H,15,17)
InChIKeyFKBJHOVHQAHLEO-UHFFFAOYSA-N
XLogP2.09
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-diethylphenyl)-3-(6-fluoro-7-methoxy-1H-indazol-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 137353066
6-fluoro-7-methoxy-4-methyl-1H-indazole
CID 142488492
6-fluoro-7-methoxy-4-propan-2-yl-1H-indazole
CID 145756107
3-(6-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 146382968
3-(5-fluoro-7-methoxy-1H-indol-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 146382969
[5-fluoro-4-(1-methylpyrazol-4-yl)-1H-indazol-7-yl] trifluoromethanesulfonate
CID 156845617
5-fluoro-4-(1-methylpyrazol-4-yl)-1H-indazol-7-ol
CID 156845663
6-fluoro-5-methyl-4-(2-methylpyrazolo[1,5-a]pyridin-5-yl)-7-(trifluoromethoxy)-1H-indazole
CID 163221219
5-fluoro-7-(methoxymethoxy)-4-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indazole
CID 165117274
(13R)-17-fluoro-13-methyl-8,11,14-trioxa-4,5,19,20-tetrazatetracyclo[13.5.2.12,5.018,21]tricosa-1(20),2(23),3,15(22),16,18(21)-hexaene
CID 165127091
4-(3,5-Difluoro-4-methylphenyl)-7-methoxy-2-methylindazole
CID 166076463
4-(3-Fluoro-4,5-dimethylphenyl)-7-methoxy-2-methylindazole
CID 166076625

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-(methoxymethoxy)-4-(1-methylpyrazol-4-yl)-1H-indazole?
The IUPAC name of 5-fluoro-7-(methoxymethoxy)-4-(1-methylpyrazol-4-yl)-1H-indazole (CID 165117231) is 5-fluoro-7-(methoxymethoxy)-4-(1-methylpyrazol-4-yl)-1H-indazole.
What is the SMILES notation for 5-fluoro-7-(methoxymethoxy)-4-(1-methylpyrazol-4-yl)-1H-indazole?
The canonical SMILES for 5-fluoro-7-(methoxymethoxy)-4-(1-methylpyrazol-4-yl)-1H-indazole is COCOc1cc(F)c(-c2cnn(C)c2)c2cn[nH]c12.
What is the InChIKey of 5-fluoro-7-(methoxymethoxy)-4-(1-methylpyrazol-4-yl)-1H-indazole?
The InChIKey is FKBJHOVHQAHLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O2/c1-18-6-8(4-16-18)12-9-5-15-17-13(9)11(3-10(12)14)20-7-19-2/h3-6H,7H2,1-2H3,(H,15,17).
What are the key properties of 5-fluoro-7-(methoxymethoxy)-4-(1-methylpyrazol-4-yl)-1H-indazole?
5-fluoro-7-(methoxymethoxy)-4-(1-methylpyrazol-4-yl)-1H-indazole has a molecular weight of 276.27 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-(methoxymethoxy)-4-(1-methylpyrazol-4-yl)-1H-indazole is sourced from PubChem (CID 165117231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).