1-[[5-fluoro-1-(2-methylpropyl)indazol-7-yl]methyl]indazole-5-carboxylic acid

C20H19FN4O2 — CID 118251617

IUPAC1-[[5-fluoro-1-(2-methylpropyl)indazol-7-yl]methyl]indazole-5-carboxylic acid
SMILESCC(C)Cn1ncc2cc(F)cc(Cn3ncc4cc(C(=O)O)ccc43)c21
InChIInChI=1S/C20H19FN4O2/c1-12(2)10-25-19-15(9-23-25)6-17(21)7-16(19)11-24-18-4-3-13(20(26)27)5-14(18)8-22-24/h3-9,12H,10-11H2,1-2H3,(H,26,27)
InChIKeyRXFHZWAHABHUOB-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.93
Rot. Bonds5

About 1-[[5-fluoro-1-(2-methylpropyl)indazol-7-yl]methyl]indazole-5-carboxylic acid

1-[[5-fluoro-1-(2-methylpropyl)indazol-7-yl]methyl]indazole-5-carboxylic acid (PubChem CID 118251617) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 1-[[5-fluoro-1-(2-methylpropyl)indazol-7-yl]methyl]indazole-5-carboxylic acid.

Molecular Properties

Compound Name1-[[5-fluoro-1-(2-methylpropyl)indazol-7-yl]methyl]indazole-5-carboxylic acid
PubChem CID118251617
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name1-[[5-fluoro-1-(2-methylpropyl)indazol-7-yl]methyl]indazole-5-carboxylic acid
SMILESCC(C)Cn1ncc2cc(F)cc(Cn3ncc4cc(C(=O)O)ccc43)c21
InChIInChI=1S/C20H19FN4O2/c1-12(2)10-25-19-15(9-23-25)6-17(21)7-16(19)11-24-18-4-3-13(20(26)27)5-14(18)8-22-24/h3-9,12H,10-11H2,1-2H3,(H,26,27)
InChIKeyRXFHZWAHABHUOB-UHFFFAOYSA-N
XLogP3.93
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[[6-[[1-Tert-butyl-5-(4-fluorophenyl)pyrazole-4-carbonyl]amino]indazol-1-yl]methyl]piperidin-1-yl]benzoic acid
CID 16660329
7-propan-2-yl-3-[4-(pyrazol-1-ylmethyl)phenyl]-1H-indole-2-carboxylic acid
CID 129187494
4-[Ethyl-[4-(1-methylindazole-5-carbonyl)piperidine-1-carbonyl]amino]benzoic acid
CID 146627025
4-[Ethyl-[4-(1-methylindazole-6-carbonyl)piperidine-1-carbonyl]amino]benzoic acid
CID 146663957
4-Cyclohexyl-2-methylpyrazolo[4,3-b]indole-7-carboxylic acid
CID 157037881
5-Fluoro-1-[(2-methylindazol-5-yl)methyl]-4-oxoquinoline-3-carboxylic acid
CID 46188031
5-fluoro-1-[(1-methyl-1H-indazol-5-yl)methyl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CID 54581661
4-Cyclopentyl-2-methylpyrazolo[4,3-b]indole-7-carboxylic acid
CID 157037428
1-Methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,5-b]indole-7-carboxylic acid
CID 157037442
2-Methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxylic acid
CID 157037779
4-[4-[4-[(E)-hydroxyiminomethyl]-1-phenylpyrazol-3-yl]-5-methyltriazol-1-yl]benzoic acid
CID 162665221
1-(4,4-Difluorocyclohexyl)-3-propylindazole-5-carboxylic acid
CID 168273954

Frequently Asked Questions

What is the IUPAC name of 1-[[5-fluoro-1-(2-methylpropyl)indazol-7-yl]methyl]indazole-5-carboxylic acid?
The IUPAC name of 1-[[5-fluoro-1-(2-methylpropyl)indazol-7-yl]methyl]indazole-5-carboxylic acid (CID 118251617) is 1-[[5-fluoro-1-(2-methylpropyl)indazol-7-yl]methyl]indazole-5-carboxylic acid.
What is the SMILES notation for 1-[[5-fluoro-1-(2-methylpropyl)indazol-7-yl]methyl]indazole-5-carboxylic acid?
The canonical SMILES for 1-[[5-fluoro-1-(2-methylpropyl)indazol-7-yl]methyl]indazole-5-carboxylic acid is CC(C)Cn1ncc2cc(F)cc(Cn3ncc4cc(C(=O)O)ccc43)c21.
What is the InChIKey of 1-[[5-fluoro-1-(2-methylpropyl)indazol-7-yl]methyl]indazole-5-carboxylic acid?
The InChIKey is RXFHZWAHABHUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-12(2)10-25-19-15(9-23-25)6-17(21)7-16(19)11-24-18-4-3-13(20(26)27)5-14(18)8-22-24/h3-9,12H,10-11H2,1-2H3,(H,26,27).
What are the key properties of 1-[[5-fluoro-1-(2-methylpropyl)indazol-7-yl]methyl]indazole-5-carboxylic acid?
1-[[5-fluoro-1-(2-methylpropyl)indazol-7-yl]methyl]indazole-5-carboxylic acid has a molecular weight of 366.40 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-fluoro-1-(2-methylpropyl)indazol-7-yl]methyl]indazole-5-carboxylic acid is sourced from PubChem (CID 118251617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).