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

C16H10ClN5O2 — CID 171740048

IUPAC4-(3-chloroanilino)-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid
SMILESO=C(O)c1[nH]nc2c1c(Nc1cccc(Cl)c1)nc1ccncc12
InChIInChI=1S/C16H10ClN5O2/c17-8-2-1-3-9(6-8)19-15-12-13(21-22-14(12)16(23)24)10-7-18-5-4-11(10)20-15/h1-7H,(H,19,20)(H,21,22)(H,23,24)
InChIKeyVBNUKIAXOZPCHZ-UHFFFAOYSA-N
MW339.74 g/mol
LogP3.60
Rot. Bonds3

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

4-(3-chloroanilino)-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid (PubChem CID 171740048) has the molecular formula C16H10ClN5O2 and a molecular weight of 339.74 g/mol. Its IUPAC name is 4-(3-chloroanilino)-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-chloroanilino)-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid
PubChem CID171740048
Molecular FormulaC16H10ClN5O2
Molecular Weight339.74 g/mol
Exact Mass339.05
IUPAC Name4-(3-chloroanilino)-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid
SMILESO=C(O)c1[nH]nc2c1c(Nc1cccc(Cl)c1)nc1ccncc12
InChIInChI=1S/C16H10ClN5O2/c17-8-2-1-3-9(6-8)19-15-12-13(21-22-14(12)16(23)24)10-7-18-5-4-11(10)20-15/h1-7H,(H,19,20)(H,21,22)(H,23,24)
InChIKeyVBNUKIAXOZPCHZ-UHFFFAOYSA-N
XLogP3.60
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.74
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methylanilino)-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid
CID 171740069
4-[3-(dimethylamino)anilino]-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid
CID 171740070
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-(dimethylamino)anilino]-2H-pyrazolo[4,3-c][2,6]naphthyridine-3-carboxylic acid
CID 171470619
N-(3-chlorophenyl)pyrido[4,3-d]pyrimidin-4-amine
CID 22460895
azanium 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylate
CID 53241016
4-[5-(3-chloroanilino)benzo[c][2,6]naphthyridin-8-yl]-4-oxobutanoic acid
CID 160845537
1-[5-(3-chloroanilino)benzo[c][2,6]naphthyridin-8-yl]ethenol
CID 149488151
4-(3-chloroanilino)-3-methyl-[1,2]thiazolo[4,5-c]quinoline-7-carboxylic acid
CID 168967659
4-(3-chloroanilino)pyrimidine-5-carboxylic acid
CID 28906082
5-(3-chloroanilino)-N-prop-2-ynylbenzo[c][2,6]naphthyridine-8-carboxamide
CID 164616625
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 4-(3-chloroanilino)-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid?
The IUPAC name of 4-(3-chloroanilino)-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid (CID 171740048) is 4-(3-chloroanilino)-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid.
What is the SMILES notation for 4-(3-chloroanilino)-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid?
The canonical SMILES for 4-(3-chloroanilino)-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid is O=C(O)c1[nH]nc2c1c(Nc1cccc(Cl)c1)nc1ccncc12.
What is the InChIKey of 4-(3-chloroanilino)-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid?
The InChIKey is VBNUKIAXOZPCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN5O2/c17-8-2-1-3-9(6-8)19-15-12-13(21-22-14(12)16(23)24)10-7-18-5-4-11(10)20-15/h1-7H,(H,19,20)(H,21,22)(H,23,24).
What are the key properties of 4-(3-chloroanilino)-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid?
4-(3-chloroanilino)-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid has a molecular weight of 339.74 g/mol, XLogP of 3.60, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloroanilino)-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid is sourced from PubChem (CID 171740048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).