1-[4-[6-(4-fluoro-3,4-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2-imino-1-pyridinyl]-2-methylpropan-1-one

C25H32FN5O2 — CID 166887179

IUPAC1-[4-[6-(4-fluoro-3,4-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2-imino-1-pyridinyl]-2-methylpropan-1-one
SMILES[H]/N=c1\cc(N2CCCc3cc(C(=O)N4CCC(C)(F)C(C)C4)cnc32)ccn1C(=O)C(C)C
InChIInChI=1S/C25H32FN5O2/c1-16(2)23(32)31-10-7-20(13-21(31)27)30-9-5-6-18-12-19(14-28-22(18)30)24(33)29-11-8-25(4,26)17(3)15-29/h7,10,12-14,16-17,27H,5-6,8-9,11,15H2,1-4H3/b27-21+
InChIKeyGLWLOBHVHQQWPO-SZXQPVLSSA-N
MW453.56 g/mol
LogP3.95
Rot. Bonds3

About 1-[4-[6-(4-fluoro-3,4-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2-imino-1-pyridinyl]-2-methylpropan-1-one

1-[4-[6-(4-fluoro-3,4-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2-imino-1-pyridinyl]-2-methylpropan-1-one (PubChem CID 166887179) has the molecular formula C25H32FN5O2 and a molecular weight of 453.56 g/mol. Its IUPAC name is 1-[4-[6-(4-fluoro-3,4-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2-imino-1-pyridinyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[6-(4-fluoro-3,4-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2-imino-1-pyridinyl]-2-methylpropan-1-one
PubChem CID166887179
Molecular FormulaC25H32FN5O2
Molecular Weight453.56 g/mol
Exact Mass453.25
IUPAC Name1-[4-[6-(4-fluoro-3,4-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2-imino-1-pyridinyl]-2-methylpropan-1-one
SMILES[H]/N=c1\cc(N2CCCc3cc(C(=O)N4CCC(C)(F)C(C)C4)cnc32)ccn1C(=O)C(C)C
InChIInChI=1S/C25H32FN5O2/c1-16(2)23(32)31-10-7-20(13-21(31)27)30-9-5-6-18-12-19(14-28-22(18)30)24(33)29-11-8-25(4,26)17(3)15-29/h7,10,12-14,16-17,27H,5-6,8-9,11,15H2,1-4H3/b27-21+
InChIKeyGLWLOBHVHQQWPO-SZXQPVLSSA-N
XLogP3.95
TPSA82.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[6-(4-fluoro-3,4-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2-imino-1-pyridinyl]-2-methylpropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(4-fluoro-3,4-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2-imino-1-pyridinyl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[6-(4-fluoro-3,4-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2-imino-1-pyridinyl]-2-methylpropan-1-one (CID 166887179) is 1-[4-[6-(4-fluoro-3,4-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2-imino-1-pyridinyl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[6-(4-fluoro-3,4-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2-imino-1-pyridinyl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[6-(4-fluoro-3,4-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2-imino-1-pyridinyl]-2-methylpropan-1-one is [H]/N=c1\cc(N2CCCc3cc(C(=O)N4CCC(C)(F)C(C)C4)cnc32)ccn1C(=O)C(C)C.
What is the InChIKey of 1-[4-[6-(4-fluoro-3,4-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2-imino-1-pyridinyl]-2-methylpropan-1-one?
The InChIKey is GLWLOBHVHQQWPO-SZXQPVLSSA-N. The full InChI is InChI=1S/C25H32FN5O2/c1-16(2)23(32)31-10-7-20(13-21(31)27)30-9-5-6-18-12-19(14-28-22(18)30)24(33)29-11-8-25(4,26)17(3)15-29/h7,10,12-14,16-17,27H,5-6,8-9,11,15H2,1-4H3/b27-21+.
What are the key properties of 1-[4-[6-(4-fluoro-3,4-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2-imino-1-pyridinyl]-2-methylpropan-1-one?
1-[4-[6-(4-fluoro-3,4-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2-imino-1-pyridinyl]-2-methylpropan-1-one has a molecular weight of 453.56 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(4-fluoro-3,4-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2-imino-1-pyridinyl]-2-methylpropan-1-one is sourced from PubChem (CID 166887179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).