1-[1-(5-fluoro-1H-indazol-7-yl)-3-methylbutyl]indazole-5-carboxylic acid

C20H19FN4O2 — CID 118251618

IUPAC1-[1-(5-fluoro-1H-indazol-7-yl)-3-methylbutyl]indazole-5-carboxylic acid
SMILESCC(C)CC(c1cc(F)cc2cn[nH]c12)n1ncc2cc(C(=O)O)ccc21
InChIInChI=1S/C20H19FN4O2/c1-11(2)5-18(16-8-15(21)7-14-9-22-24-19(14)16)25-17-4-3-12(20(26)27)6-13(17)10-23-25/h3-4,6-11,18H,5H2,1-2H3,(H,22,24)(H,26,27)
InChIKeyVVRCQTMDVIPDKD-UHFFFAOYSA-N
MW366.40 g/mol
LogP4.39
Rot. Bonds5

About 1-[1-(5-fluoro-1H-indazol-7-yl)-3-methylbutyl]indazole-5-carboxylic acid

1-[1-(5-fluoro-1H-indazol-7-yl)-3-methylbutyl]indazole-5-carboxylic acid (PubChem CID 118251618) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 1-[1-(5-fluoro-1H-indazol-7-yl)-3-methylbutyl]indazole-5-carboxylic acid.

Molecular Properties

Compound Name1-[1-(5-fluoro-1H-indazol-7-yl)-3-methylbutyl]indazole-5-carboxylic acid
PubChem CID118251618
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name1-[1-(5-fluoro-1H-indazol-7-yl)-3-methylbutyl]indazole-5-carboxylic acid
SMILESCC(C)CC(c1cc(F)cc2cn[nH]c12)n1ncc2cc(C(=O)O)ccc21
InChIInChI=1S/C20H19FN4O2/c1-11(2)5-18(16-8-15(21)7-14-9-22-24-19(14)16)25-17-4-3-12(20(26)27)6-13(17)10-23-25/h3-4,6-11,18H,5H2,1-2H3,(H,22,24)(H,26,27)
InChIKeyVVRCQTMDVIPDKD-UHFFFAOYSA-N
XLogP4.39
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-Cyclohexyl-2-methylpyrazolo[4,3-b]indole-7-carboxylic acid
CID 157037881
2-fluoro-5-[5-(1H-indazol-5-ylcarbamoyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid
CID 118875292
5-[[2-hydroxy-3-(1-propan-2-ylpyrazol-3-yl)phenyl]methylamino]-1H-indazole-3-carboxylic acid
CID 156155256
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
5-Fluoro-1,4-dihydro-1-(1H-indazol-5-ylmethyl)-4-oxo-3-quinolinecarboxylic acid
CID 54583614
1-(4,4-Difluorocyclohexyl)-3-propylindazole-5-carboxylic acid
CID 168273954
1-(4,4-Difluorocyclohexyl)indazole-5-carboxylic acid
CID 168275396
1-Cyclopentylindazole-5-carboxylic acid
CID 83414047

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-fluoro-1H-indazol-7-yl)-3-methylbutyl]indazole-5-carboxylic acid?
The IUPAC name of 1-[1-(5-fluoro-1H-indazol-7-yl)-3-methylbutyl]indazole-5-carboxylic acid (CID 118251618) is 1-[1-(5-fluoro-1H-indazol-7-yl)-3-methylbutyl]indazole-5-carboxylic acid.
What is the SMILES notation for 1-[1-(5-fluoro-1H-indazol-7-yl)-3-methylbutyl]indazole-5-carboxylic acid?
The canonical SMILES for 1-[1-(5-fluoro-1H-indazol-7-yl)-3-methylbutyl]indazole-5-carboxylic acid is CC(C)CC(c1cc(F)cc2cn[nH]c12)n1ncc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-[1-(5-fluoro-1H-indazol-7-yl)-3-methylbutyl]indazole-5-carboxylic acid?
The InChIKey is VVRCQTMDVIPDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-11(2)5-18(16-8-15(21)7-14-9-22-24-19(14)16)25-17-4-3-12(20(26)27)6-13(17)10-23-25/h3-4,6-11,18H,5H2,1-2H3,(H,22,24)(H,26,27).
What are the key properties of 1-[1-(5-fluoro-1H-indazol-7-yl)-3-methylbutyl]indazole-5-carboxylic acid?
1-[1-(5-fluoro-1H-indazol-7-yl)-3-methylbutyl]indazole-5-carboxylic acid has a molecular weight of 366.40 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-fluoro-1H-indazol-7-yl)-3-methylbutyl]indazole-5-carboxylic acid is sourced from PubChem (CID 118251618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).