1-[1-(2,2-difluoropropyl)piperidin-4-yl]-2-[3-(1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone

C21H22F2N4O2 — CID 158656022

IUPAC1-[1-(2,2-difluoropropyl)piperidin-4-yl]-2-[3-(1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone
SMILESCC(F)(F)CN1CCC(C(=O)Cc2cc3cc(-c4cnco4)cnc3cn2)CC1
InChIInChI=1S/C21H22F2N4O2/c1-21(22,23)12-27-4-2-14(3-5-27)19(28)8-17-7-15-6-16(20-11-24-13-29-20)9-26-18(15)10-25-17/h6-7,9-11,13-14H,2-5,8,12H2,1H3
InChIKeyICDMFDGIYJZSMU-UHFFFAOYSA-N
MW400.43 g/mol
LogP3.76
Rot. Bonds6

About 1-[1-(2,2-difluoropropyl)piperidin-4-yl]-2-[3-(1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone

1-[1-(2,2-difluoropropyl)piperidin-4-yl]-2-[3-(1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone (PubChem CID 158656022) has the molecular formula C21H22F2N4O2 and a molecular weight of 400.43 g/mol. Its IUPAC name is 1-[1-(2,2-difluoropropyl)piperidin-4-yl]-2-[3-(1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2,2-difluoropropyl)piperidin-4-yl]-2-[3-(1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone
PubChem CID158656022
Molecular FormulaC21H22F2N4O2
Molecular Weight400.43 g/mol
Exact Mass400.17
IUPAC Name1-[1-(2,2-difluoropropyl)piperidin-4-yl]-2-[3-(1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone
SMILESCC(F)(F)CN1CCC(C(=O)Cc2cc3cc(-c4cnco4)cnc3cn2)CC1
InChIInChI=1S/C21H22F2N4O2/c1-21(22,23)12-27-4-2-14(3-5-27)19(28)8-17-7-15-6-16(20-11-24-13-29-20)9-26-18(15)10-25-17/h6-7,9-11,13-14H,2-5,8,12H2,1H3
InChIKeyICDMFDGIYJZSMU-UHFFFAOYSA-N
XLogP3.76
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluoropropyl)piperidin-4-yl]-2-[3-(1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone?
The IUPAC name of 1-[1-(2,2-difluoropropyl)piperidin-4-yl]-2-[3-(1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone (CID 158656022) is 1-[1-(2,2-difluoropropyl)piperidin-4-yl]-2-[3-(1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone.
What is the SMILES notation for 1-[1-(2,2-difluoropropyl)piperidin-4-yl]-2-[3-(1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone?
The canonical SMILES for 1-[1-(2,2-difluoropropyl)piperidin-4-yl]-2-[3-(1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone is CC(F)(F)CN1CCC(C(=O)Cc2cc3cc(-c4cnco4)cnc3cn2)CC1.
What is the InChIKey of 1-[1-(2,2-difluoropropyl)piperidin-4-yl]-2-[3-(1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone?
The InChIKey is ICDMFDGIYJZSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O2/c1-21(22,23)12-27-4-2-14(3-5-27)19(28)8-17-7-15-6-16(20-11-24-13-29-20)9-26-18(15)10-25-17/h6-7,9-11,13-14H,2-5,8,12H2,1H3.
What are the key properties of 1-[1-(2,2-difluoropropyl)piperidin-4-yl]-2-[3-(1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone?
1-[1-(2,2-difluoropropyl)piperidin-4-yl]-2-[3-(1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone has a molecular weight of 400.43 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-difluoropropyl)piperidin-4-yl]-2-[3-(1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone is sourced from PubChem (CID 158656022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).