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

C17H13N5O2 — CID 171740069

IUPAC4-(3-methylanilino)-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid
SMILESCc1cccc(Nc2nc3ccncc3c3n[nH]c(C(=O)O)c23)c1
InChIInChI=1S/C17H13N5O2/c1-9-3-2-4-10(7-9)19-16-13-14(21-22-15(13)17(23)24)11-8-18-6-5-12(11)20-16/h2-8H,1H3,(H,19,20)(H,21,22)(H,23,24)
InChIKeyQZMXXVXZRNNDIX-UHFFFAOYSA-N
MW319.32 g/mol
LogP3.26
Rot. Bonds3

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

4-(3-methylanilino)-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid (PubChem CID 171740069) has the molecular formula C17H13N5O2 and a molecular weight of 319.32 g/mol. Its IUPAC name is 4-(3-methylanilino)-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-methylanilino)-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid
PubChem CID171740069
Molecular FormulaC17H13N5O2
Molecular Weight319.32 g/mol
Exact Mass319.11
IUPAC Name4-(3-methylanilino)-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid
SMILESCc1cccc(Nc2nc3ccncc3c3n[nH]c(C(=O)O)c23)c1
InChIInChI=1S/C17H13N5O2/c1-9-3-2-4-10(7-9)19-16-13-14(21-22-15(13)17(23)24)11-8-18-6-5-12(11)20-16/h2-8H,1H3,(H,19,20)(H,21,22)(H,23,24)
InChIKeyQZMXXVXZRNNDIX-UHFFFAOYSA-N
XLogP3.26
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-chloroanilino)-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid
CID 171740048
4-[3-(dimethylamino)anilino]-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid
CID 171740070
5-[3-(dimethylamino)anilino]-2H-pyrazolo[4,3-c][2,6]naphthyridine-3-carboxylic acid
CID 171470619
6-[3-(dimethylamino)anilino]-7H-pyrrolo[2,3-c][1,6]naphthyridine-8-carboxylic acid
CID 170687497
8-(3-methylanilino)-2,4,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene-5-carboxylic acid
CID 171726252
5-(3-methoxyanilino)-1H-pyrrolo[3,2-c][2,6]naphthyridine-2-carboxylic acid
CID 171406059
6-(3-propan-2-ylanilino)-7H-pyrrolo[2,3-c][1,6]naphthyridine-8-carboxylic acid
CID 170687498
N,N-dimethyl-3-(4,8,11,13,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaen-9-ylamino)benzamide
CID 170925128
6-(3-methylanilino)pyrazine-2-carboxylic acid
CID 66455982
N-(3-chlorophenyl)-4,8,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-9-amine
CID 171440257
5-(3-fluoroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 50942443
N-(3-methylphenyl)-4,9,11,13,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaen-8-amine
CID 171440220

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylanilino)-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid?
The IUPAC name of 4-(3-methylanilino)-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid (CID 171740069) is 4-(3-methylanilino)-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid.
What is the SMILES notation for 4-(3-methylanilino)-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid?
The canonical SMILES for 4-(3-methylanilino)-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid is Cc1cccc(Nc2nc3ccncc3c3n[nH]c(C(=O)O)c23)c1.
What is the InChIKey of 4-(3-methylanilino)-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid?
The InChIKey is QZMXXVXZRNNDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2/c1-9-3-2-4-10(7-9)19-16-13-14(21-22-15(13)17(23)24)11-8-18-6-5-12(11)20-16/h2-8H,1H3,(H,19,20)(H,21,22)(H,23,24).
What are the key properties of 4-(3-methylanilino)-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid?
4-(3-methylanilino)-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid has a molecular weight of 319.32 g/mol, XLogP of 3.26, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylanilino)-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid is sourced from PubChem (CID 171740069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).