1-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone

C23H26N4O2 — CID 163344763

IUPAC1-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
SMILESCc1noc(C)c1CC(=O)N1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1
InChIInChI=1S/C23H26N4O2/c1-14-20(15(2)29-26-14)12-22(28)27-9-7-17(8-10-27)21-6-5-18-11-19(16-3-4-16)13-24-23(18)25-21/h5-6,11,13,16-17H,3-4,7-10,12H2,1-2H3
InChIKeyZZGXVTJRZVKWLF-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.06
Rot. Bonds4

About 1-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone

1-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone (PubChem CID 163344763) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
PubChem CID163344763
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name1-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
SMILESCc1noc(C)c1CC(=O)N1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1
InChIInChI=1S/C23H26N4O2/c1-14-20(15(2)29-26-14)12-22(28)27-9-7-17(8-10-27)21-6-5-18-11-19(16-3-4-16)13-24-23(18)25-21/h5-6,11,13,16-17H,3-4,7-10,12H2,1-2H3
InChIKeyZZGXVTJRZVKWLF-UHFFFAOYSA-N
XLogP4.06
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?
The IUPAC name of 1-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone (CID 163344763) is 1-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone.
What is the SMILES notation for 1-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?
The canonical SMILES for 1-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone is Cc1noc(C)c1CC(=O)N1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1.
What is the InChIKey of 1-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?
The InChIKey is ZZGXVTJRZVKWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-14-20(15(2)29-26-14)12-22(28)27-9-7-17(8-10-27)21-6-5-18-11-19(16-3-4-16)13-24-23(18)25-21/h5-6,11,13,16-17H,3-4,7-10,12H2,1-2H3.
What are the key properties of 1-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?
1-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone has a molecular weight of 390.49 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone is sourced from PubChem (CID 163344763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).