8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxylic acid

C19H14N4O2 — CID 118660735

IUPAC8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxylic acid
SMILESCn1cc(-c2ccc(-c3cncc4ccc(C(=O)O)nc34)cc2)cn1
InChIInChI=1S/C19H14N4O2/c1-23-11-15(9-21-23)12-2-4-13(5-3-12)16-10-20-8-14-6-7-17(19(24)25)22-18(14)16/h2-11H,1H3,(H,24,25)
InChIKeyWBUMRDJBKJSRQP-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.40
Rot. Bonds3

About 8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxylic acid

8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxylic acid (PubChem CID 118660735) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxylic acid.

Molecular Properties

Compound Name8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxylic acid
PubChem CID118660735
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC Name8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxylic acid
SMILESCn1cc(-c2ccc(-c3cncc4ccc(C(=O)O)nc34)cc2)cn1
InChIInChI=1S/C19H14N4O2/c1-23-11-15(9-21-23)12-2-4-13(5-3-12)16-10-20-8-14-6-7-17(19(24)25)22-18(14)16/h2-11H,1H3,(H,24,25)
InChIKeyWBUMRDJBKJSRQP-UHFFFAOYSA-N
XLogP3.40
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxylic acid?
The IUPAC name of 8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxylic acid (CID 118660735) is 8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxylic acid.
What is the SMILES notation for 8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxylic acid?
The canonical SMILES for 8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxylic acid is Cn1cc(-c2ccc(-c3cncc4ccc(C(=O)O)nc34)cc2)cn1.
What is the InChIKey of 8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxylic acid?
The InChIKey is WBUMRDJBKJSRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2/c1-23-11-15(9-21-23)12-2-4-13(5-3-12)16-10-20-8-14-6-7-17(19(24)25)22-18(14)16/h2-11H,1H3,(H,24,25).
What are the key properties of 8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxylic acid?
8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxylic acid has a molecular weight of 330.35 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxylic acid is sourced from PubChem (CID 118660735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).