[3-[[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]amino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

C24H28F4N6O — CID 59764707

IUPAC[3-[[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]amino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESO=C(N1CCc2ncc(C(F)(F)F)cc2C1)N1CCC(NC2CCN(c3cccc(F)n3)CC2)C1
InChIInChI=1S/C24H28F4N6O/c25-21-2-1-3-22(31-21)32-8-4-18(5-9-32)30-19-6-10-34(15-19)23(35)33-11-7-20-16(14-33)12-17(13-29-20)24(26,27)28/h1-3,12-13,18-19,30H,4-11,14-15H2
InChIKeyBOMMTEUESPBHQP-UHFFFAOYSA-N
MW492.52 g/mol
LogP3.45
Rot. Bonds3

About [3-[[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]amino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

[3-[[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]amino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (PubChem CID 59764707) has the molecular formula C24H28F4N6O and a molecular weight of 492.52 g/mol. Its IUPAC name is [3-[[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]amino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.

Molecular Properties

Compound Name[3-[[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]amino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
PubChem CID59764707
Molecular FormulaC24H28F4N6O
Molecular Weight492.52 g/mol
Exact Mass492.23
IUPAC Name[3-[[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]amino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESO=C(N1CCc2ncc(C(F)(F)F)cc2C1)N1CCC(NC2CCN(c3cccc(F)n3)CC2)C1
InChIInChI=1S/C24H28F4N6O/c25-21-2-1-3-22(31-21)32-8-4-18(5-9-32)30-19-6-10-34(15-19)23(35)33-11-7-20-16(14-33)12-17(13-29-20)24(26,27)28/h1-3,12-13,18-19,30H,4-11,14-15H2
InChIKeyBOMMTEUESPBHQP-UHFFFAOYSA-N
XLogP3.45
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.52
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-[[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]amino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The IUPAC name of [3-[[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]amino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (CID 59764707) is [3-[[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]amino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.
What is the SMILES notation for [3-[[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]amino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The canonical SMILES for [3-[[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]amino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is O=C(N1CCc2ncc(C(F)(F)F)cc2C1)N1CCC(NC2CCN(c3cccc(F)n3)CC2)C1.
What is the InChIKey of [3-[[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]amino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The InChIKey is BOMMTEUESPBHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F4N6O/c25-21-2-1-3-22(31-21)32-8-4-18(5-9-32)30-19-6-10-34(15-19)23(35)33-11-7-20-16(14-33)12-17(13-29-20)24(26,27)28/h1-3,12-13,18-19,30H,4-11,14-15H2.
What are the key properties of [3-[[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]amino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
[3-[[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]amino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone has a molecular weight of 492.52 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[1-(6-fluoro-2-pyridinyl)piperidin-4-yl]amino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is sourced from PubChem (CID 59764707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).