(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-methyl-5-(3,4,5-trifluorophenyl)-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone

C25H22F3N5O — CID 146491701

IUPAC(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-methyl-5-(3,4,5-trifluorophenyl)-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone
SMILESCc1ccc2nc(C)c(C(=O)N3C4CCC3c3nn(C)c(-c5cc(F)c(F)c(F)c5)c3C4)n2c1
InChIInChI=1S/C25H22F3N5O/c1-12-4-7-20-29-13(2)23(32(20)11-12)25(34)33-15-5-6-19(33)22-16(10-15)24(31(3)30-22)14-8-17(26)21(28)18(27)9-14/h4,7-9,11,15,19H,5-6,10H2,1-3H3
InChIKeyNIXVJSLRIHRSGV-UHFFFAOYSA-N
MW465.48 g/mol
LogP4.67
Rot. Bonds2

About (2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-methyl-5-(3,4,5-trifluorophenyl)-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone

(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-methyl-5-(3,4,5-trifluorophenyl)-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone (PubChem CID 146491701) has the molecular formula C25H22F3N5O and a molecular weight of 465.48 g/mol. Its IUPAC name is (2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-methyl-5-(3,4,5-trifluorophenyl)-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-methyl-5-(3,4,5-trifluorophenyl)-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone
PubChem CID146491701
Molecular FormulaC25H22F3N5O
Molecular Weight465.48 g/mol
Exact Mass465.18
IUPAC Name(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-methyl-5-(3,4,5-trifluorophenyl)-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone
SMILESCc1ccc2nc(C)c(C(=O)N3C4CCC3c3nn(C)c(-c5cc(F)c(F)c(F)c5)c3C4)n2c1
InChIInChI=1S/C25H22F3N5O/c1-12-4-7-20-29-13(2)23(32(20)11-12)25(34)33-15-5-6-19(33)22-16(10-15)24(31(3)30-22)14-8-17(26)21(28)18(27)9-14/h4,7-9,11,15,19H,5-6,10H2,1-3H3
InChIKeyNIXVJSLRIHRSGV-UHFFFAOYSA-N
XLogP4.67
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.48
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze (2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-methyl-5-(3,4,5-trifluorophenyl)-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-methyl-5-(3,4,5-trifluorophenyl)-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone?
The IUPAC name of (2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-methyl-5-(3,4,5-trifluorophenyl)-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone (CID 146491701) is (2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-methyl-5-(3,4,5-trifluorophenyl)-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone.
What is the SMILES notation for (2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-methyl-5-(3,4,5-trifluorophenyl)-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone?
The canonical SMILES for (2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-methyl-5-(3,4,5-trifluorophenyl)-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone is Cc1ccc2nc(C)c(C(=O)N3C4CCC3c3nn(C)c(-c5cc(F)c(F)c(F)c5)c3C4)n2c1.
What is the InChIKey of (2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-methyl-5-(3,4,5-trifluorophenyl)-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone?
The InChIKey is NIXVJSLRIHRSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O/c1-12-4-7-20-29-13(2)23(32(20)11-12)25(34)33-15-5-6-19(33)22-16(10-15)24(31(3)30-22)14-8-17(26)21(28)18(27)9-14/h4,7-9,11,15,19H,5-6,10H2,1-3H3.
What are the key properties of (2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-methyl-5-(3,4,5-trifluorophenyl)-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone?
(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-methyl-5-(3,4,5-trifluorophenyl)-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone has a molecular weight of 465.48 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[4-methyl-5-(3,4,5-trifluorophenyl)-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone is sourced from PubChem (CID 146491701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).