1-(5-fluoro-3-pyridinyl)-2-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone

C24H23FN6O — CID 162091492

IUPAC1-(5-fluoro-3-pyridinyl)-2-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone
SMILESCN1CCC(n2cc(-c3cnc4cnc(CC(=O)c5cncc(F)c5)cc4c3)cn2)CC1
InChIInChI=1S/C24H23FN6O/c1-30-4-2-22(3-5-30)31-15-19(12-29-31)17-6-16-8-21(27-14-23(16)28-11-17)9-24(32)18-7-20(25)13-26-10-18/h6-8,10-15,22H,2-5,9H2,1H3
InChIKeyZDRCMDQJEIBJRR-UHFFFAOYSA-N
MW430.49 g/mol
LogP3.72
Rot. Bonds5

About 1-(5-fluoro-3-pyridinyl)-2-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone

1-(5-fluoro-3-pyridinyl)-2-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone (PubChem CID 162091492) has the molecular formula C24H23FN6O and a molecular weight of 430.49 g/mol. Its IUPAC name is 1-(5-fluoro-3-pyridinyl)-2-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone.

Molecular Properties

Compound Name1-(5-fluoro-3-pyridinyl)-2-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone
PubChem CID162091492
Molecular FormulaC24H23FN6O
Molecular Weight430.49 g/mol
Exact Mass430.19
IUPAC Name1-(5-fluoro-3-pyridinyl)-2-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone
SMILESCN1CCC(n2cc(-c3cnc4cnc(CC(=O)c5cncc(F)c5)cc4c3)cn2)CC1
InChIInChI=1S/C24H23FN6O/c1-30-4-2-22(3-5-30)31-15-19(12-29-31)17-6-16-8-21(27-14-23(16)28-11-17)9-24(32)18-7-20(25)13-26-10-18/h6-8,10-15,22H,2-5,9H2,1H3
InChIKeyZDRCMDQJEIBJRR-UHFFFAOYSA-N
XLogP3.72
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-((3-(6-Methylpyridin-2-yl)-4-(1,5-naphthyridin-2-yl)-1H-pyrazol-1-yl)methyl)benzamide
CID 46907145
US11597728, Example 250
CID 168058605
4-[[(1R,2S)-2-fluoro-2-methylcyclopentyl]amino]-6-isoquinolin-4-ylpyrrolo[1,2-b]pyridazine-3-carboxamide
CID 68358720
1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(3,5-dimethyl-1H-pyrazol-4-yl)-1,5-naphthyridin-3-yl]ethanone
CID 71666021
1-[4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(1H-pyrazol-4-yl)-1,5-naphthyridin-3-yl]ethanone
CID 71667931
2-(5-fluoro-2-pyridinyl)-N-[5-(1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide
CID 121231192
US9920032, Example 63
CID 126739010
US9920032, Example 119
CID 126739026
US9920032, Example 127
CID 126739043
US9920032, Example 64
CID 126739069
US9920032, Example 62
CID 126739132
US11597728, Example 224
CID 146480254

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-pyridinyl)-2-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone?
The IUPAC name of 1-(5-fluoro-3-pyridinyl)-2-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone (CID 162091492) is 1-(5-fluoro-3-pyridinyl)-2-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone.
What is the SMILES notation for 1-(5-fluoro-3-pyridinyl)-2-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone?
The canonical SMILES for 1-(5-fluoro-3-pyridinyl)-2-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone is CN1CCC(n2cc(-c3cnc4cnc(CC(=O)c5cncc(F)c5)cc4c3)cn2)CC1.
What is the InChIKey of 1-(5-fluoro-3-pyridinyl)-2-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone?
The InChIKey is ZDRCMDQJEIBJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O/c1-30-4-2-22(3-5-30)31-15-19(12-29-31)17-6-16-8-21(27-14-23(16)28-11-17)9-24(32)18-7-20(25)13-26-10-18/h6-8,10-15,22H,2-5,9H2,1H3.
What are the key properties of 1-(5-fluoro-3-pyridinyl)-2-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone?
1-(5-fluoro-3-pyridinyl)-2-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone has a molecular weight of 430.49 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-pyridinyl)-2-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,7-naphthyridin-6-yl]ethanone is sourced from PubChem (CID 162091492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).