2-[4-[2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetyl]piperidin-1-yl]acetic acid

C21H23N5O3 — CID 158970012

IUPAC2-[4-[2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetyl]piperidin-1-yl]acetic acid
SMILESCn1cc(-c2cc3cc(CC(=O)C4CCN(CC(=O)O)CC4)ncc3cn2)cn1
InChIInChI=1S/C21H23N5O3/c1-25-12-17(11-24-25)19-7-15-6-18(22-9-16(15)10-23-19)8-20(27)14-2-4-26(5-3-14)13-21(28)29/h6-7,9-12,14H,2-5,8,13H2,1H3,(H,28,29)
InChIKeyJNROCSAOLUOWNQ-UHFFFAOYSA-N
MW393.45 g/mol
LogP1.94
Rot. Bonds6

About 2-[4-[2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetyl]piperidin-1-yl]acetic acid

2-[4-[2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetyl]piperidin-1-yl]acetic acid (PubChem CID 158970012) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-[4-[2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetyl]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetyl]piperidin-1-yl]acetic acid
PubChem CID158970012
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name2-[4-[2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetyl]piperidin-1-yl]acetic acid
SMILESCn1cc(-c2cc3cc(CC(=O)C4CCN(CC(=O)O)CC4)ncc3cn2)cn1
InChIInChI=1S/C21H23N5O3/c1-25-12-17(11-24-25)19-7-15-6-18(22-9-16(15)10-23-19)8-20(27)14-2-4-26(5-3-14)13-21(28)29/h6-7,9-12,14H,2-5,8,13H2,1H3,(H,28,29)
InChIKeyJNROCSAOLUOWNQ-UHFFFAOYSA-N
XLogP1.94
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetyl]piperidin-1-yl]acetic acid with MolForge

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Related Compounds

1-(4-methoxypiperidin-1-yl)-3-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]propan-2-one
CID 162116622
1-[(3R)-1-(2-methylpropyl)piperidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
CID 159778819
1-[1-(hydroxymethyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 159155935
1-cyclopropyl-2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
CID 158116535
2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(pyrazin-2-ylmethyl)piperidin-4-yl]ethanone
CID 147197229
2-[7-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-methylpiperidin-4-yl)ethanone
CID 152966257
2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(oxetan-2-ylmethyl)piperidin-4-yl]ethanone
CID 160974379
1-(1-tert-butylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone
CID 158989738
1-(4-aminocyclohexyl)-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
CID 157443965
1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]-2-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]ethanone
CID 160826178
1-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-2-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]ethanone
CID 153187206
2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-[1,1,2,3,3-pentadeuterio-2-(trideuteriomethyl)butyl]piperidin-4-yl]ethanone
CID 158366231

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetyl]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-[2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetyl]piperidin-1-yl]acetic acid (CID 158970012) is 2-[4-[2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetyl]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetyl]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetyl]piperidin-1-yl]acetic acid is Cn1cc(-c2cc3cc(CC(=O)C4CCN(CC(=O)O)CC4)ncc3cn2)cn1.
What is the InChIKey of 2-[4-[2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetyl]piperidin-1-yl]acetic acid?
The InChIKey is JNROCSAOLUOWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-25-12-17(11-24-25)19-7-15-6-18(22-9-16(15)10-23-19)8-20(27)14-2-4-26(5-3-14)13-21(28)29/h6-7,9-12,14H,2-5,8,13H2,1H3,(H,28,29).
What are the key properties of 2-[4-[2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetyl]piperidin-1-yl]acetic acid?
2-[4-[2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetyl]piperidin-1-yl]acetic acid has a molecular weight of 393.45 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]acetyl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 158970012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).