[1,3-dimethyl-2,6-dioxo-5-[4-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]-1,3-diazinan-4-ylidene]azanium

C18H21F3N7O2+ — CID 154702356

IUPAC[1,3-dimethyl-2,6-dioxo-5-[4-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]-1,3-diazinan-4-ylidene]azanium
SMILESCN1C(=[NH2+])C(N2CCN(c3cc(C(F)(F)F)cc4cncn34)CC2)C(=O)N(C)C1=O
InChIInChI=1S/C18H20F3N7O2/c1-24-15(22)14(16(29)25(2)17(24)30)27-5-3-26(4-6-27)13-8-11(18(19,20)21)7-12-9-23-10-28(12)13/h7-10,14,22H,3-6H2,1-2H3/p+1
InChIKeyURLNGDQGKHGZSZ-UHFFFAOYSA-O
MW424.41 g/mol
LogP-0.47
Rot. Bonds2

About [1,3-dimethyl-2,6-dioxo-5-[4-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]-1,3-diazinan-4-ylidene]azanium

[1,3-dimethyl-2,6-dioxo-5-[4-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]-1,3-diazinan-4-ylidene]azanium (PubChem CID 154702356) has the molecular formula C18H21F3N7O2+ and a molecular weight of 424.41 g/mol. Its IUPAC name is [1,3-dimethyl-2,6-dioxo-5-[4-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]-1,3-diazinan-4-ylidene]azanium.

Molecular Properties

Compound Name[1,3-dimethyl-2,6-dioxo-5-[4-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]-1,3-diazinan-4-ylidene]azanium
PubChem CID154702356
Molecular FormulaC18H21F3N7O2+
Molecular Weight424.41 g/mol
Exact Mass424.17
IUPAC Name[1,3-dimethyl-2,6-dioxo-5-[4-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]-1,3-diazinan-4-ylidene]azanium
SMILESCN1C(=[NH2+])C(N2CCN(c3cc(C(F)(F)F)cc4cncn34)CC2)C(=O)N(C)C1=O
InChIInChI=1S/C18H20F3N7O2/c1-24-15(22)14(16(29)25(2)17(24)30)27-5-3-26(4-6-27)13-8-11(18(19,20)21)7-12-9-23-10-28(12)13/h7-10,14,22H,3-6H2,1-2H3/p+1
InChIKeyURLNGDQGKHGZSZ-UHFFFAOYSA-O
XLogP-0.47
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.41
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [1,3-dimethyl-2,6-dioxo-5-[4-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]-1,3-diazinan-4-ylidene]azanium with MolForge

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Related Compounds

(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
N-amino-N'-[1-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperidin-4-yl]methanimidamide
CID 145230252
N-[4-[2,2-dimethyl-4-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]phenyl]methanesulfonamide
CID 135241041
1,3-dimethyl-5-[4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]sulfonyl-1,3-diazinane-2,4-dione
CID 156590547
2,4-dimethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,2,4-triazine-3,5-dione
CID 58269761
6-ethyl-1,3-dimethyl-5-[3-(trifluoromethyl)phenyl]imino-4aH-pyrido[2,3-d]pyrimidine-2,4-dione
CID 167998552
(3R)-1-methyl-3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
CID 41156767
1-[3-(trifluoromethyl)phenyl]-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
CID 19682890
6-ethyl-1,3-dimethyl-5-[3-(trifluoromethyl)phenyl]imino-4aH-pyrido[2,3-d]pyrimidin-8-ium-2,4-dione
CID 167998551
1-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 784417
1-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]piperidin-4-one
CID 118862382
3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]naphthalene-1,2,4-trione
CID 54007801

Frequently Asked Questions

What is the IUPAC name of [1,3-dimethyl-2,6-dioxo-5-[4-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]-1,3-diazinan-4-ylidene]azanium?
The IUPAC name of [1,3-dimethyl-2,6-dioxo-5-[4-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]-1,3-diazinan-4-ylidene]azanium (CID 154702356) is [1,3-dimethyl-2,6-dioxo-5-[4-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]-1,3-diazinan-4-ylidene]azanium.
What is the SMILES notation for [1,3-dimethyl-2,6-dioxo-5-[4-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]-1,3-diazinan-4-ylidene]azanium?
The canonical SMILES for [1,3-dimethyl-2,6-dioxo-5-[4-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]-1,3-diazinan-4-ylidene]azanium is CN1C(=[NH2+])C(N2CCN(c3cc(C(F)(F)F)cc4cncn34)CC2)C(=O)N(C)C1=O.
What is the InChIKey of [1,3-dimethyl-2,6-dioxo-5-[4-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]-1,3-diazinan-4-ylidene]azanium?
The InChIKey is URLNGDQGKHGZSZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H20F3N7O2/c1-24-15(22)14(16(29)25(2)17(24)30)27-5-3-26(4-6-27)13-8-11(18(19,20)21)7-12-9-23-10-28(12)13/h7-10,14,22H,3-6H2,1-2H3/p+1.
What are the key properties of [1,3-dimethyl-2,6-dioxo-5-[4-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]-1,3-diazinan-4-ylidene]azanium?
[1,3-dimethyl-2,6-dioxo-5-[4-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]-1,3-diazinan-4-ylidene]azanium has a molecular weight of 424.41 g/mol, XLogP of -0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-dimethyl-2,6-dioxo-5-[4-[7-(trifluoromethyl)imidazo[1,5-a]pyridin-5-yl]piperazin-1-yl]-1,3-diazinan-4-ylidene]azanium is sourced from PubChem (CID 154702356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).