(5-methyl-5,6,7,8-tetrahydroimidazo[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

C24H24F3N5O — CID 153470461

IUPAC(5-methyl-5,6,7,8-tetrahydroimidazo[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
SMILESCC1CCCc2ncc(C(=O)N3C4CCC3c3nn(C)c(-c5cc(F)c(F)c(F)c5)c3C4)n21
InChIInChI=1S/C24H24F3N5O/c1-12-4-3-5-20-28-11-19(31(12)20)24(33)32-14-6-7-18(32)22-15(10-14)23(30(2)29-22)13-8-16(25)21(27)17(26)9-13/h8-9,11-12,14,18H,3-7,10H2,1-2H3
InChIKeyDMVZFWPNNGYVBD-UHFFFAOYSA-N
MW455.48 g/mol
LogP4.50
Rot. Bonds2

About (5-methyl-5,6,7,8-tetrahydroimidazo[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

(5-methyl-5,6,7,8-tetrahydroimidazo[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 153470461) has the molecular formula C24H24F3N5O and a molecular weight of 455.48 g/mol. Its IUPAC name is (5-methyl-5,6,7,8-tetrahydroimidazo[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(5-methyl-5,6,7,8-tetrahydroimidazo[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 CID153470461
Molecular FormulaC24H24F3N5O
Molecular Weight455.48 g/mol
Exact Mass455.19
IUPAC Name(5-methyl-5,6,7,8-tetrahydroimidazo[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
SMILESCC1CCCc2ncc(C(=O)N3C4CCC3c3nn(C)c(-c5cc(F)c(F)c(F)c5)c3C4)n21
InChIInChI=1S/C24H24F3N5O/c1-12-4-3-5-20-28-11-19(31(12)20)24(33)32-14-6-7-18(32)22-15(10-14)23(30(2)29-22)13-8-16(25)21(27)17(26)9-13/h8-9,11-12,14,18H,3-7,10H2,1-2H3
InChIKeyDMVZFWPNNGYVBD-UHFFFAOYSA-N
XLogP4.50
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.48
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5-methyl-5,6,7,8-tetrahydroimidazo[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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Related Compounds

[(1S,8R)-4-methyl-5-(3,4,5-trifluorophenyl)-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)methanone
CID 146455312
[(1S,8R)-4-methyl-5-(3,4,5-trifluorophenyl)-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]-quinoxalin-6-ylmethanone
CID 146455276
[(1S)-4-methyl-5-(3,4,5-trifluorophenyl)-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]-(1,5-naphthyridin-3-yl)methanone
CID 146491688
imidazo[1,2-a]pyridin-5-yl-[(1S,8R)-4-methyl-5-(3,4,5-trifluorophenyl)-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]methanone
CID 146455314
(3-chloro-5-fluoro-4-pyridinyl)-[4-methyl-5-(3,4,5-trifluorophenyl)-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl]methanone
CID 146480270
[4-methyl-5-(3,4,5-trifluorophenyl)-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]-quinolin-6-ylmethanone
CID 146480349
[(1R,8S)-4-methyl-5-(3,4,5-trifluorophenyl)-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 170121577
[4-methyl-5-(3,4,5-trifluorophenyl)-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 146491793
[4-methyl-5-(3,4,5-trifluorophenyl)-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
CID 146480710
(1-methylpyrazolo[3,4-b]pyridin-4-yl)-[(1S,8R)-4-methyl-5-(3,4,5-trifluorophenyl)-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl]methanone
CID 146454927
[(1S)-4-methyl-5-(3,4,5-trifluorophenyl)-3,4,11-triazatricyclo[6.2.1.02,6]undeca-2,5-dien-11-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 146491833
[4-fluoro-2-(triazol-2-yl)phenyl]-[(1R,8S)-4-methyl-5-(3,4,5-trifluorophenyl)-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl]methanone
CID 146480438

Frequently Asked Questions

What is the IUPAC name of (5-methyl-5,6,7,8-tetrahydroimidazo[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 (5-methyl-5,6,7,8-tetrahydroimidazo[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 153470461) is (5-methyl-5,6,7,8-tetrahydroimidazo[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 (5-methyl-5,6,7,8-tetrahydroimidazo[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 (5-methyl-5,6,7,8-tetrahydroimidazo[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 CC1CCCc2ncc(C(=O)N3C4CCC3c3nn(C)c(-c5cc(F)c(F)c(F)c5)c3C4)n21.
What is the InChIKey of (5-methyl-5,6,7,8-tetrahydroimidazo[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 DMVZFWPNNGYVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O/c1-12-4-3-5-20-28-11-19(31(12)20)24(33)32-14-6-7-18(32)22-15(10-14)23(30(2)29-22)13-8-16(25)21(27)17(26)9-13/h8-9,11-12,14,18H,3-7,10H2,1-2H3.
What are the key properties of (5-methyl-5,6,7,8-tetrahydroimidazo[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?
(5-methyl-5,6,7,8-tetrahydroimidazo[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 455.48 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-5,6,7,8-tetrahydroimidazo[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 153470461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).