[3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

C24H29F3N6O2 — CID 59764604

IUPAC[3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESO=C(N1CCc2ncc(C(F)(F)F)cc2C1)N1CCC(NCc2ccc(N3CCOCC3)nc2)C1
InChIInChI=1S/C24H29F3N6O2/c25-24(26,27)19-11-18-15-32(6-4-21(18)29-14-19)23(34)33-5-3-20(16-33)28-12-17-1-2-22(30-13-17)31-7-9-35-10-8-31/h1-2,11,13-14,20,28H,3-10,12,15-16H2
InChIKeyLQHQUNHINCENEC-UHFFFAOYSA-N
MW490.53 g/mol
LogP2.67
Rot. Bonds4

About [3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

[3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (PubChem CID 59764604) has the molecular formula C24H29F3N6O2 and a molecular weight of 490.53 g/mol. Its IUPAC name is [3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.

Molecular Properties

Compound Name[3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
PubChem CID59764604
Molecular FormulaC24H29F3N6O2
Molecular Weight490.53 g/mol
Exact Mass490.23
IUPAC Name[3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESO=C(N1CCc2ncc(C(F)(F)F)cc2C1)N1CCC(NCc2ccc(N3CCOCC3)nc2)C1
InChIInChI=1S/C24H29F3N6O2/c25-24(26,27)19-11-18-15-32(6-4-21(18)29-14-19)23(34)33-5-3-20(16-33)28-12-17-1-2-22(30-13-17)31-7-9-35-10-8-31/h1-2,11,13-14,20,28H,3-10,12,15-16H2
InChIKeyLQHQUNHINCENEC-UHFFFAOYSA-N
XLogP2.67
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.53
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The IUPAC name of [3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (CID 59764604) is [3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.
What is the SMILES notation for [3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The canonical SMILES for [3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]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(NCc2ccc(N3CCOCC3)nc2)C1.
What is the InChIKey of [3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The InChIKey is LQHQUNHINCENEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N6O2/c25-24(26,27)19-11-18-15-32(6-4-21(18)29-14-19)23(34)33-5-3-20(16-33)28-12-17-1-2-22(30-13-17)31-7-9-35-10-8-31/h1-2,11,13-14,20,28H,3-10,12,15-16H2.
What are the key properties of [3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
[3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone has a molecular weight of 490.53 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]pyrrolidin-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is sourced from PubChem (CID 59764604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).