7-benzyl-3-(2-methylpyrazol-3-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid

C20H20N4O2 — CID 97463652

IUPAC7-benzyl-3-(2-methylpyrazol-3-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
SMILESCn1nccc1-c1ncc2c(c1C(=O)O)CCN(Cc1ccccc1)C2
InChIInChI=1S/C20H20N4O2/c1-23-17(7-9-22-23)19-18(20(25)26)16-8-10-24(13-15(16)11-21-19)12-14-5-3-2-4-6-14/h2-7,9,11H,8,10,12-13H2,1H3,(H,25,26)
InChIKeyUJKKVDSRGPMECX-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.74
Rot. Bonds4

About 7-benzyl-3-(2-methylpyrazol-3-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid

7-benzyl-3-(2-methylpyrazol-3-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid (PubChem CID 97463652) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 7-benzyl-3-(2-methylpyrazol-3-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid.

Molecular Properties

Compound Name7-benzyl-3-(2-methylpyrazol-3-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
PubChem CID97463652
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name7-benzyl-3-(2-methylpyrazol-3-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
SMILESCn1nccc1-c1ncc2c(c1C(=O)O)CCN(Cc1ccccc1)C2
InChIInChI=1S/C20H20N4O2/c1-23-17(7-9-22-23)19-18(20(25)26)16-8-10-24(13-15(16)11-21-19)12-14-5-3-2-4-6-14/h2-7,9,11H,8,10,12-13H2,1H3,(H,25,26)
InChIKeyUJKKVDSRGPMECX-UHFFFAOYSA-N
XLogP2.74
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-3-(pyridin-4-yl)-1H-pyrazole-4-carboxylic acid
CID 976454
2-(1,5-dimethyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid
CID 3164943
2-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-quinolinecarboxylic acid
CID 6485411
2-(1-ethyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid
CID 6485380
2-(1,3-dimethyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid
CID 6485381
1-phenyl-3-(pyridin-3-yl)-1H-pyrazole-4-carboxylic acid
CID 752171
1-benzyl-3-(pyridin-3-yl)-1H-pyrazole-4-carboxylic acid
CID 2497643
2-[1-[2-[Hexyl(methyl)amino]ethyl]triazol-4-yl]pyridine-4-carboxylic acid
CID 168148191
2-((3,5-Dimethyl-1H-pyrazol-1-yl)methyl)-4-quinolinecarboxylic acid
CID 6485409
2-(1-methyl-1H-pyrazol-3-yl)quinoline-4-carboxylic acid
CID 6485423
8-Fluoro-1-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-4-oxoquinoline-3-carboxylic acid
CID 46225077
5-Fluoro-1-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-4-oxoquinoline-3-carboxylic acid
CID 46225111

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-3-(2-methylpyrazol-3-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The IUPAC name of 7-benzyl-3-(2-methylpyrazol-3-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid (CID 97463652) is 7-benzyl-3-(2-methylpyrazol-3-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid.
What is the SMILES notation for 7-benzyl-3-(2-methylpyrazol-3-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The canonical SMILES for 7-benzyl-3-(2-methylpyrazol-3-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid is Cn1nccc1-c1ncc2c(c1C(=O)O)CCN(Cc1ccccc1)C2.
What is the InChIKey of 7-benzyl-3-(2-methylpyrazol-3-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
The InChIKey is UJKKVDSRGPMECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-23-17(7-9-22-23)19-18(20(25)26)16-8-10-24(13-15(16)11-21-19)12-14-5-3-2-4-6-14/h2-7,9,11H,8,10,12-13H2,1H3,(H,25,26).
What are the key properties of 7-benzyl-3-(2-methylpyrazol-3-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid?
7-benzyl-3-(2-methylpyrazol-3-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid has a molecular weight of 348.41 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-3-(2-methylpyrazol-3-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid is sourced from PubChem (CID 97463652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).