5-[3-(dimethylamino)anilino]-2H-pyrazolo[4,3-c][2,6]naphthyridine-3-carboxylic acid

C18H16N6O2 — CID 171470619

IUPAC5-[3-(dimethylamino)anilino]-2H-pyrazolo[4,3-c][2,6]naphthyridine-3-carboxylic acid
SMILESCN(C)c1cccc(Nc2nc3c(C(=O)O)[nH]nc3c3cnccc23)c1
InChIInChI=1S/C18H16N6O2/c1-24(2)11-5-3-4-10(8-11)20-17-12-6-7-19-9-13(12)14-15(21-17)16(18(25)26)23-22-14/h3-9H,1-2H3,(H,20,21)(H,22,23)(H,25,26)
InChIKeyLOFWIDQPXHXIGP-UHFFFAOYSA-N
MW348.37 g/mol
LogP3.01
Rot. Bonds4

About 5-[3-(dimethylamino)anilino]-2H-pyrazolo[4,3-c][2,6]naphthyridine-3-carboxylic acid

5-[3-(dimethylamino)anilino]-2H-pyrazolo[4,3-c][2,6]naphthyridine-3-carboxylic acid (PubChem CID 171470619) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is 5-[3-(dimethylamino)anilino]-2H-pyrazolo[4,3-c][2,6]naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[3-(dimethylamino)anilino]-2H-pyrazolo[4,3-c][2,6]naphthyridine-3-carboxylic acid
PubChem CID171470619
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC Name5-[3-(dimethylamino)anilino]-2H-pyrazolo[4,3-c][2,6]naphthyridine-3-carboxylic acid
SMILESCN(C)c1cccc(Nc2nc3c(C(=O)O)[nH]nc3c3cnccc23)c1
InChIInChI=1S/C18H16N6O2/c1-24(2)11-5-3-4-10(8-11)20-17-12-6-7-19-9-13(12)14-15(21-17)16(18(25)26)23-22-14/h3-9H,1-2H3,(H,20,21)(H,22,23)(H,25,26)
InChIKeyLOFWIDQPXHXIGP-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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Related Compounds

4-[3-(dimethylamino)anilino]-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid
CID 171740070
6-[3-(dimethylamino)anilino]-7H-pyrrolo[2,3-c][1,6]naphthyridine-8-carboxylic acid
CID 170687497
4-(3-methylanilino)-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid
CID 171740069
4-(3-chloroanilino)-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid
CID 171740048
5-[4-(dimethylamino)anilino]-3H-pyrrolo[2,3-c][2,7]naphthyridine-2-carboxylic acid
CID 170683356
5-(3-methoxyanilino)-1H-pyrrolo[3,2-c][2,6]naphthyridine-2-carboxylic acid
CID 171406059
4-[3-(dimethylamino)anilino]quinazoline-2-carboxamide
CID 173217946
5-(3-fluoroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 50942443
3-N,3-N-dimethyl-1-N-pyridin-3-ylbenzene-1,3-diamine
CID 82537509
5-chloro-6-[3-(dimethylamino)anilino]pyridine-3-carboxylic acid
CID 115378021
[3-(dimethylamino)phenyl]carbamic acid
CID 91129511
N-(3-chlorophenyl)-7-[1-(dimethylamino)ethenyl]benzo[c][2,6]naphthyridin-5-amine
CID 89148355

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)anilino]-2H-pyrazolo[4,3-c][2,6]naphthyridine-3-carboxylic acid?
The IUPAC name of 5-[3-(dimethylamino)anilino]-2H-pyrazolo[4,3-c][2,6]naphthyridine-3-carboxylic acid (CID 171470619) is 5-[3-(dimethylamino)anilino]-2H-pyrazolo[4,3-c][2,6]naphthyridine-3-carboxylic acid.
What is the SMILES notation for 5-[3-(dimethylamino)anilino]-2H-pyrazolo[4,3-c][2,6]naphthyridine-3-carboxylic acid?
The canonical SMILES for 5-[3-(dimethylamino)anilino]-2H-pyrazolo[4,3-c][2,6]naphthyridine-3-carboxylic acid is CN(C)c1cccc(Nc2nc3c(C(=O)O)[nH]nc3c3cnccc23)c1.
What is the InChIKey of 5-[3-(dimethylamino)anilino]-2H-pyrazolo[4,3-c][2,6]naphthyridine-3-carboxylic acid?
The InChIKey is LOFWIDQPXHXIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2/c1-24(2)11-5-3-4-10(8-11)20-17-12-6-7-19-9-13(12)14-15(21-17)16(18(25)26)23-22-14/h3-9H,1-2H3,(H,20,21)(H,22,23)(H,25,26).
What are the key properties of 5-[3-(dimethylamino)anilino]-2H-pyrazolo[4,3-c][2,6]naphthyridine-3-carboxylic acid?
5-[3-(dimethylamino)anilino]-2H-pyrazolo[4,3-c][2,6]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 5-[3-(dimethylamino)anilino]-2H-pyrazolo[4,3-c][2,6]naphthyridine-3-carboxylic acid is sourced from PubChem (CID 171470619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).