7-fluoro-8-[1-[(3S,4R)-3-fluoro-4-(2,3,6,7-tetrahydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]propan-2-yl]-1-methyl-1,5-naphthyridin-2-one

C26H32F2N4O3 — CID 163548715

IUPAC7-fluoro-8-[1-[(3S,4R)-3-fluoro-4-(2,3,6,7-tetrahydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]propan-2-yl]-1-methyl-1,5-naphthyridin-2-one
SMILESCC(CN1CC[C@@H](NCC2C=C3OCCOC3=CC2)[C@@H](F)C1)c1c(F)cnc2ccc(=O)n(C)c12
InChIInChI=1S/C26H32F2N4O3/c1-16(25-18(27)13-30-21-4-6-24(33)31(2)26(21)25)14-32-8-7-20(19(28)15-32)29-12-17-3-5-22-23(11-17)35-10-9-34-22/h4-6,11,13,16-17,19-20,29H,3,7-10,12,14-15H2,1-2H3/t16?,17?,19-,20+/m0/s1
InChIKeyFHFRASXZQQJVEL-ZYKFHVCXSA-N
MW486.56 g/mol
LogP3.01
Rot. Bonds6

About 7-fluoro-8-[1-[(3S,4R)-3-fluoro-4-(2,3,6,7-tetrahydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]propan-2-yl]-1-methyl-1,5-naphthyridin-2-one

7-fluoro-8-[1-[(3S,4R)-3-fluoro-4-(2,3,6,7-tetrahydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]propan-2-yl]-1-methyl-1,5-naphthyridin-2-one (PubChem CID 163548715) has the molecular formula C26H32F2N4O3 and a molecular weight of 486.56 g/mol. Its IUPAC name is 7-fluoro-8-[1-[(3S,4R)-3-fluoro-4-(2,3,6,7-tetrahydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]propan-2-yl]-1-methyl-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name7-fluoro-8-[1-[(3S,4R)-3-fluoro-4-(2,3,6,7-tetrahydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]propan-2-yl]-1-methyl-1,5-naphthyridin-2-one
PubChem CID163548715
Molecular FormulaC26H32F2N4O3
Molecular Weight486.56 g/mol
Exact Mass486.24
IUPAC Name7-fluoro-8-[1-[(3S,4R)-3-fluoro-4-(2,3,6,7-tetrahydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]propan-2-yl]-1-methyl-1,5-naphthyridin-2-one
SMILESCC(CN1CC[C@@H](NCC2C=C3OCCOC3=CC2)[C@@H](F)C1)c1c(F)cnc2ccc(=O)n(C)c12
InChIInChI=1S/C26H32F2N4O3/c1-16(25-18(27)13-30-21-4-6-24(33)31(2)26(21)25)14-32-8-7-20(19(28)15-32)29-12-17-3-5-22-23(11-17)35-10-9-34-22/h4-6,11,13,16-17,19-20,29H,3,7-10,12,14-15H2,1-2H3/t16?,17?,19-,20+/m0/s1
InChIKeyFHFRASXZQQJVEL-ZYKFHVCXSA-N
XLogP3.01
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.56
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-fluoro-8-[1-[(3S,4R)-3-fluoro-4-(2,3,6,7-tetrahydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]propan-2-yl]-1-methyl-1,5-naphthyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-[1-[(3S,4R)-3-fluoro-4-(2,3,6,7-tetrahydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]propan-2-yl]-1-methyl-1,5-naphthyridin-2-one?
The IUPAC name of 7-fluoro-8-[1-[(3S,4R)-3-fluoro-4-(2,3,6,7-tetrahydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]propan-2-yl]-1-methyl-1,5-naphthyridin-2-one (CID 163548715) is 7-fluoro-8-[1-[(3S,4R)-3-fluoro-4-(2,3,6,7-tetrahydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]propan-2-yl]-1-methyl-1,5-naphthyridin-2-one.
What is the SMILES notation for 7-fluoro-8-[1-[(3S,4R)-3-fluoro-4-(2,3,6,7-tetrahydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]propan-2-yl]-1-methyl-1,5-naphthyridin-2-one?
The canonical SMILES for 7-fluoro-8-[1-[(3S,4R)-3-fluoro-4-(2,3,6,7-tetrahydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]propan-2-yl]-1-methyl-1,5-naphthyridin-2-one is CC(CN1CC[C@@H](NCC2C=C3OCCOC3=CC2)[C@@H](F)C1)c1c(F)cnc2ccc(=O)n(C)c12.
What is the InChIKey of 7-fluoro-8-[1-[(3S,4R)-3-fluoro-4-(2,3,6,7-tetrahydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]propan-2-yl]-1-methyl-1,5-naphthyridin-2-one?
The InChIKey is FHFRASXZQQJVEL-ZYKFHVCXSA-N. The full InChI is InChI=1S/C26H32F2N4O3/c1-16(25-18(27)13-30-21-4-6-24(33)31(2)26(21)25)14-32-8-7-20(19(28)15-32)29-12-17-3-5-22-23(11-17)35-10-9-34-22/h4-6,11,13,16-17,19-20,29H,3,7-10,12,14-15H2,1-2H3/t16?,17?,19-,20+/m0/s1.
What are the key properties of 7-fluoro-8-[1-[(3S,4R)-3-fluoro-4-(2,3,6,7-tetrahydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]propan-2-yl]-1-methyl-1,5-naphthyridin-2-one?
7-fluoro-8-[1-[(3S,4R)-3-fluoro-4-(2,3,6,7-tetrahydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]propan-2-yl]-1-methyl-1,5-naphthyridin-2-one has a molecular weight of 486.56 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-[1-[(3S,4R)-3-fluoro-4-(2,3,6,7-tetrahydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]propan-2-yl]-1-methyl-1,5-naphthyridin-2-one is sourced from PubChem (CID 163548715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).