4-[3-(dimethylamino)anilino]-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid

C18H16N6O2 — CID 171740070

IUPAC4-[3-(dimethylamino)anilino]-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid
SMILESCN(C)c1cccc(Nc2nc3ccncc3c3n[nH]c(C(=O)O)c23)c1
InChIInChI=1S/C18H16N6O2/c1-24(2)11-5-3-4-10(8-11)20-17-14-15(22-23-16(14)18(25)26)12-9-19-7-6-13(12)21-17/h3-9H,1-2H3,(H,20,21)(H,22,23)(H,25,26)
InChIKeyHTKGVQUVOIZZJR-UHFFFAOYSA-N
MW348.37 g/mol
LogP3.01
Rot. Bonds4

About 4-[3-(dimethylamino)anilino]-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid

4-[3-(dimethylamino)anilino]-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid (PubChem CID 171740070) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is 4-[3-(dimethylamino)anilino]-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[3-(dimethylamino)anilino]-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid
PubChem CID171740070
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC Name4-[3-(dimethylamino)anilino]-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid
SMILESCN(C)c1cccc(Nc2nc3ccncc3c3n[nH]c(C(=O)O)c23)c1
InChIInChI=1S/C18H16N6O2/c1-24(2)11-5-3-4-10(8-11)20-17-14-15(22-23-16(14)18(25)26)12-9-19-7-6-13(12)21-17/h3-9H,1-2H3,(H,20,21)(H,22,23)(H,25,26)
InChIKeyHTKGVQUVOIZZJR-UHFFFAOYSA-N
XLogP3.01
TPSA107.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)anilino]-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid?
The IUPAC name of 4-[3-(dimethylamino)anilino]-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid (CID 171740070) is 4-[3-(dimethylamino)anilino]-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid.
What is the SMILES notation for 4-[3-(dimethylamino)anilino]-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid?
The canonical SMILES for 4-[3-(dimethylamino)anilino]-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid is CN(C)c1cccc(Nc2nc3ccncc3c3n[nH]c(C(=O)O)c23)c1.
What is the InChIKey of 4-[3-(dimethylamino)anilino]-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid?
The InChIKey is HTKGVQUVOIZZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2/c1-24(2)11-5-3-4-10(8-11)20-17-14-15(22-23-16(14)18(25)26)12-9-19-7-6-13(12)21-17/h3-9H,1-2H3,(H,20,21)(H,22,23)(H,25,26).
What are the key properties of 4-[3-(dimethylamino)anilino]-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid?
4-[3-(dimethylamino)anilino]-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid has a molecular weight of 348.37 g/mol, XLogP of 3.01, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)anilino]-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid is sourced from PubChem (CID 171740070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).