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

C25H30F3N5O2 — CID 130201230

IUPAC8-(methylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCOCC3)c(C(F)(F)F)c1)C(=O)N2
InChIInChI=1S/C25H30F3N5O2/c1-29-24(18-5-3-2-4-6-18)9-7-23(8-10-24)17-33(22(34)31-23)19-15-20(25(26,27)28)21(30-16-19)32-11-13-35-14-12-32/h2-6,15-16,29H,7-14,17H2,1H3,(H,31,34)
InChIKeyFYJUFDIHRVKHSA-UHFFFAOYSA-N
MW489.54 g/mol
LogP3.89
Rot. Bonds4

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

8-(methylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130201230) has the molecular formula C25H30F3N5O2 and a molecular weight of 489.54 g/mol. Its IUPAC name is 8-(methylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(methylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130201230
Molecular FormulaC25H30F3N5O2
Molecular Weight489.54 g/mol
Exact Mass489.24
IUPAC Name8-(methylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCOCC3)c(C(F)(F)F)c1)C(=O)N2
InChIInChI=1S/C25H30F3N5O2/c1-29-24(18-5-3-2-4-6-18)9-7-23(8-10-24)17-33(22(34)31-23)19-15-20(25(26,27)28)21(30-16-19)32-11-13-35-14-12-32/h2-6,15-16,29H,7-14,17H2,1H3,(H,31,34)
InChIKeyFYJUFDIHRVKHSA-UHFFFAOYSA-N
XLogP3.89
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.54
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(methylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(methylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130201230) is 8-(methylamino)-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-(methylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(methylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCOCC3)c(C(F)(F)F)c1)C(=O)N2.
What is the InChIKey of 8-(methylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is FYJUFDIHRVKHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3N5O2/c1-29-24(18-5-3-2-4-6-18)9-7-23(8-10-24)17-33(22(34)31-23)19-15-20(25(26,27)28)21(30-16-19)32-11-13-35-14-12-32/h2-6,15-16,29H,7-14,17H2,1H3,(H,31,34).
What are the key properties of 8-(methylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(methylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 489.54 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130201230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).