3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid

C20H24FN5O2 — CID 157357015

IUPAC3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid
SMILESCN(C)CCCCCn1nc(Cc2nnccc2C(=O)O)c2cc(F)ccc21
InChIInChI=1S/C20H24FN5O2/c1-25(2)10-4-3-5-11-26-19-7-6-14(21)12-16(19)18(24-26)13-17-15(20(27)28)8-9-22-23-17/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,27,28)
InChIKeyGAGPQSBNUQQWRG-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.99
Rot. Bonds9

About 3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid

3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid (PubChem CID 157357015) has the molecular formula C20H24FN5O2 and a molecular weight of 385.44 g/mol. Its IUPAC name is 3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid
PubChem CID157357015
Molecular FormulaC20H24FN5O2
Molecular Weight385.44 g/mol
Exact Mass385.19
IUPAC Name3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid
SMILESCN(C)CCCCCn1nc(Cc2nnccc2C(=O)O)c2cc(F)ccc21
InChIInChI=1S/C20H24FN5O2/c1-25(2)10-4-3-5-11-26-19-7-6-14(21)12-16(19)18(24-26)13-17-15(20(27)28)8-9-22-23-17/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,27,28)
InChIKeyGAGPQSBNUQQWRG-UHFFFAOYSA-N
XLogP2.99
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid
CID 158913772
3-[[1-(4,4-dimethylpentyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid
CID 157145511
3-[[5-chloro-1-[(3S)-oxolan-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid;3-[[5-fluoro-1-[2-(1-methylpiperidin-4-yl)ethyl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3S)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-[(3R)-pyrrolidin-3-yl]indazol-3-yl]methyl]pyridine-4-carboxylic acid
CID 158913771
3-[(1-benzyl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-butan-2-yl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[[1-[2-[2-(dimethylamino)ethoxy]ethyl]-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2,2,2-trifluoroethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid
CID 158456815
3-[[5-fluoro-1-(oxan-4-ylmethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid
CID 148595115
N-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]cyclopropanamine
CID 59494816
3-ethyl-5-fluoro-1-(2-pyrrolidin-1-ylethyl)indazole
CID 123502143
3-[(1-butan-2-yl-5-fluoroindazol-3-yl)methyl]pyridine-4-carboxylic acid
CID 147466873
3-[[1-[4-(dimethylamino)but-2-ynyl]-5-fluoroindazol-3-yl]amino]pyridine-4-carboxylic acid
CID 90216544
2-(5-fluoro-3-methylindazol-1-yl)acetic acid
CID 84675846
3-[4-(dimethylamino)butyl]-6-fluoro-1H-benzimidazol-2-one
CID 110491197
1-[2-(dimethylamino)ethyl]-7-fluoro-4-oxoquinoline-3-carboxylic acid
CID 82248737

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid?
The IUPAC name of 3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid (CID 157357015) is 3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid?
The canonical SMILES for 3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid is CN(C)CCCCCn1nc(Cc2nnccc2C(=O)O)c2cc(F)ccc21.
What is the InChIKey of 3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid?
The InChIKey is GAGPQSBNUQQWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O2/c1-25(2)10-4-3-5-11-26-19-7-6-14(21)12-16(19)18(24-26)13-17-15(20(27)28)8-9-22-23-17/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,27,28).
What are the key properties of 3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid?
3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid has a molecular weight of 385.44 g/mol, XLogP of 2.99, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[5-(dimethylamino)pentyl]-5-fluoroindazol-3-yl]methyl]pyridazine-4-carboxylic acid is sourced from PubChem (CID 157357015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).