(5R)-6,6-dimethyl-8-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decane-1,3-dione

C18H19F3N4O2 — CID 151963020

IUPAC(5R)-6,6-dimethyl-8-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decane-1,3-dione
SMILESCC1(C)CN(c2cc(C(F)(F)F)cc3cncn23)CC[C@@]12CC(=O)NC2=O
InChIInChI=1S/C18H19F3N4O2/c1-16(2)9-24(4-3-17(16)7-13(26)23-15(17)27)14-6-11(18(19,20)21)5-12-8-22-10-25(12)14/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,23,26,27)/t17-/m0/s1
InChIKeyTZBFYUHVVBWYHR-KRWDZBQOSA-N
MW380.37 g/mol
LogP2.62
Rot. Bonds1

About (5R)-6,6-dimethyl-8-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decane-1,3-dione

(5R)-6,6-dimethyl-8-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decane-1,3-dione (PubChem CID 151963020) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is (5R)-6,6-dimethyl-8-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name(5R)-6,6-dimethyl-8-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decane-1,3-dione
PubChem CID151963020
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Name(5R)-6,6-dimethyl-8-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decane-1,3-dione
SMILESCC1(C)CN(c2cc(C(F)(F)F)cc3cncn23)CC[C@@]12CC(=O)NC2=O
InChIInChI=1S/C18H19F3N4O2/c1-16(2)9-24(4-3-17(16)7-13(26)23-15(17)27)14-6-11(18(19,20)21)5-12-8-22-10-25(12)14/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,23,26,27)/t17-/m0/s1
InChIKeyTZBFYUHVVBWYHR-KRWDZBQOSA-N
XLogP2.62
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-6,6-dimethyl-8-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decane-1,3-dione?
The IUPAC name of (5R)-6,6-dimethyl-8-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decane-1,3-dione (CID 151963020) is (5R)-6,6-dimethyl-8-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for (5R)-6,6-dimethyl-8-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decane-1,3-dione?
The canonical SMILES for (5R)-6,6-dimethyl-8-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decane-1,3-dione is CC1(C)CN(c2cc(C(F)(F)F)cc3cncn23)CC[C@@]12CC(=O)NC2=O.
What is the InChIKey of (5R)-6,6-dimethyl-8-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decane-1,3-dione?
The InChIKey is TZBFYUHVVBWYHR-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c1-16(2)9-24(4-3-17(16)7-13(26)23-15(17)27)14-6-11(18(19,20)21)5-12-8-22-10-25(12)14/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,23,26,27)/t17-/m0/s1.
What are the key properties of (5R)-6,6-dimethyl-8-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decane-1,3-dione?
(5R)-6,6-dimethyl-8-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decane-1,3-dione has a molecular weight of 380.37 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6,6-dimethyl-8-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 151963020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).