1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone

C23H28FN5O — CID 148835421

IUPAC1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
SMILESCC(C)CN1CCC(F)(C(=O)Cc2cc3cc(-c4cnn(C)c4)ncc3cn2)CC1
InChIInChI=1S/C23H28FN5O/c1-16(2)14-29-6-4-23(24,5-7-29)22(30)10-20-8-17-9-21(19-13-27-28(3)15-19)26-12-18(17)11-25-20/h8-9,11-13,15-16H,4-7,10,14H2,1-3H3
InChIKeyOUMPUTCDCIVMLH-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.60
Rot. Bonds6

About 1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone

1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone (PubChem CID 148835421) has the molecular formula C23H28FN5O and a molecular weight of 409.51 g/mol. Its IUPAC name is 1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
PubChem CID148835421
Molecular FormulaC23H28FN5O
Molecular Weight409.51 g/mol
Exact Mass409.23
IUPAC Name1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
SMILESCC(C)CN1CCC(F)(C(=O)Cc2cc3cc(-c4cnn(C)c4)ncc3cn2)CC1
InChIInChI=1S/C23H28FN5O/c1-16(2)14-29-6-4-23(24,5-7-29)22(30)10-20-8-17-9-21(19-13-27-28(3)15-19)26-12-18(17)11-25-20/h8-9,11-13,15-16H,4-7,10,14H2,1-3H3
InChIKeyOUMPUTCDCIVMLH-UHFFFAOYSA-N
XLogP3.60
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone?
The IUPAC name of 1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone (CID 148835421) is 1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone.
What is the SMILES notation for 1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone?
The canonical SMILES for 1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone is CC(C)CN1CCC(F)(C(=O)Cc2cc3cc(-c4cnn(C)c4)ncc3cn2)CC1.
What is the InChIKey of 1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone?
The InChIKey is OUMPUTCDCIVMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O/c1-16(2)14-29-6-4-23(24,5-7-29)22(30)10-20-8-17-9-21(19-13-27-28(3)15-19)26-12-18(17)11-25-20/h8-9,11-13,15-16H,4-7,10,14H2,1-3H3.
What are the key properties of 1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone?
1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone has a molecular weight of 409.51 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]ethanone is sourced from PubChem (CID 148835421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).