8-(dimethylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C26H32F3N5O2 — CID 130201443

IUPAC8-(dimethylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCOCC3)c(C(F)(F)F)c1)C(=O)N2
InChIInChI=1S/C26H32F3N5O2/c1-32(2)25(19-6-4-3-5-7-19)10-8-24(9-11-25)18-34(23(35)31-24)20-16-21(26(27,28)29)22(30-17-20)33-12-14-36-15-13-33/h3-7,16-17H,8-15,18H2,1-2H3,(H,31,35)
InChIKeyPMNWBCXJZSRQDL-UHFFFAOYSA-N
MW503.57 g/mol
LogP4.24
Rot. Bonds4

About 8-(dimethylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130201443) has the molecular formula C26H32F3N5O2 and a molecular weight of 503.57 g/mol. Its IUPAC name is 8-(dimethylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130201443
Molecular FormulaC26H32F3N5O2
Molecular Weight503.57 g/mol
Exact Mass503.25
IUPAC Name8-(dimethylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCOCC3)c(C(F)(F)F)c1)C(=O)N2
InChIInChI=1S/C26H32F3N5O2/c1-32(2)25(19-6-4-3-5-7-19)10-8-24(9-11-25)18-34(23(35)31-24)20-16-21(26(27,28)29)22(30-17-20)33-12-14-36-15-13-33/h3-7,16-17H,8-15,18H2,1-2H3,(H,31,35)
InChIKeyPMNWBCXJZSRQDL-UHFFFAOYSA-N
XLogP4.24
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.57
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130201443) is 8-(dimethylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCOCC3)c(C(F)(F)F)c1)C(=O)N2.
What is the InChIKey of 8-(dimethylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is PMNWBCXJZSRQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F3N5O2/c1-32(2)25(19-6-4-3-5-7-19)10-8-24(9-11-25)18-34(23(35)31-24)20-16-21(26(27,28)29)22(30-17-20)33-12-14-36-15-13-33/h3-7,16-17H,8-15,18H2,1-2H3,(H,31,35).
What are the key properties of 8-(dimethylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 503.57 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130201443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).