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

C23H25N7O2 — CID 160826178

IUPAC1-[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
SMILESCc1nc(CN2CCC(C(=O)Cc3cc4nc(-c5cnn(C)c5)ccc4cn3)CC2)no1
InChIInChI=1S/C23H25N7O2/c1-15-26-23(28-32-15)14-30-7-5-16(6-8-30)22(31)10-19-9-21-17(11-24-19)3-4-20(27-21)18-12-25-29(2)13-18/h3-4,9,11-13,16H,5-8,10,14H2,1-2H3
InChIKeySGEUSMKEVQTRGL-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.75
Rot. Bonds6

About 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

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 (PubChem CID 160826178) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID160826178
Molecular FormulaC23H25N7O2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC Name1-[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
SMILESCc1nc(CN2CCC(C(=O)Cc3cc4nc(-c5cnn(C)c5)ccc4cn3)CC2)no1
InChIInChI=1S/C23H25N7O2/c1-15-26-23(28-32-15)14-30-7-5-16(6-8-30)22(31)10-19-9-21-17(11-24-19)3-4-20(27-21)18-12-25-29(2)13-18/h3-4,9,11-13,16H,5-8,10,14H2,1-2H3
InChIKeySGEUSMKEVQTRGL-UHFFFAOYSA-N
XLogP2.75
TPSA102.83 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(CN2CCC(C(=O)Cc3cc4nc(-c5cnn(C)c5)ccc4cn3)CC2)no1.
What is the InChIKey of 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?
The InChIKey is SGEUSMKEVQTRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2/c1-15-26-23(28-32-15)14-30-7-5-16(6-8-30)22(31)10-19-9-21-17(11-24-19)3-4-20(27-21)18-12-25-29(2)13-18/h3-4,9,11-13,16H,5-8,10,14H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 431.50 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160826178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).