imidazo[1,5-a]pyridin-5-yl-[(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

C24H20F3N5O — CID 146479663

IUPACimidazo[1,5-a]pyridin-5-yl-[(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
SMILESCn1nc2c(c1-c1cc(F)c(F)c(F)c1)C[C@@H]1CCC[C@H]2N1C(=O)c1cccc2cncn12
InChIInChI=1S/C24H20F3N5O/c1-30-23(13-8-17(25)21(27)18(26)9-13)16-10-14-4-2-6-19(22(16)29-30)32(14)24(33)20-7-3-5-15-11-28-12-31(15)20/h3,5,7-9,11-12,14,19H,2,4,6,10H2,1H3/t14-,19+/m0/s1
InChIKeyGKUUCBODTJRFPT-IFXJQAMLSA-N
MW451.45 g/mol
LogP4.44
Rot. Bonds2

About imidazo[1,5-a]pyridin-5-yl-[(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

imidazo[1,5-a]pyridin-5-yl-[(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 (PubChem CID 146479663) has the molecular formula C24H20F3N5O and a molecular weight of 451.45 g/mol. Its IUPAC name is imidazo[1,5-a]pyridin-5-yl-[(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.

Molecular Properties

Compound Nameimidazo[1,5-a]pyridin-5-yl-[(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
PubChem CID146479663
Molecular FormulaC24H20F3N5O
Molecular Weight451.45 g/mol
Exact Mass451.16
IUPAC Nameimidazo[1,5-a]pyridin-5-yl-[(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
SMILESCn1nc2c(c1-c1cc(F)c(F)c(F)c1)C[C@@H]1CCC[C@H]2N1C(=O)c1cccc2cncn12
InChIInChI=1S/C24H20F3N5O/c1-30-23(13-8-17(25)21(27)18(26)9-13)16-10-14-4-2-6-19(22(16)29-30)32(14)24(33)20-7-3-5-15-11-28-12-31(15)20/h3,5,7-9,11-12,14,19H,2,4,6,10H2,1H3/t14-,19+/m0/s1
InChIKeyGKUUCBODTJRFPT-IFXJQAMLSA-N
XLogP4.44
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.45
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of imidazo[1,5-a]pyridin-5-yl-[(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?
The IUPAC name of imidazo[1,5-a]pyridin-5-yl-[(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 146479663) is imidazo[1,5-a]pyridin-5-yl-[(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.
What is the SMILES notation for imidazo[1,5-a]pyridin-5-yl-[(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?
The canonical SMILES for imidazo[1,5-a]pyridin-5-yl-[(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 is Cn1nc2c(c1-c1cc(F)c(F)c(F)c1)C[C@@H]1CCC[C@H]2N1C(=O)c1cccc2cncn12.
What is the InChIKey of imidazo[1,5-a]pyridin-5-yl-[(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?
The InChIKey is GKUUCBODTJRFPT-IFXJQAMLSA-N. The full InChI is InChI=1S/C24H20F3N5O/c1-30-23(13-8-17(25)21(27)18(26)9-13)16-10-14-4-2-6-19(22(16)29-30)32(14)24(33)20-7-3-5-15-11-28-12-31(15)20/h3,5,7-9,11-12,14,19H,2,4,6,10H2,1H3/t14-,19+/m0/s1.
What are the key properties of imidazo[1,5-a]pyridin-5-yl-[(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?
imidazo[1,5-a]pyridin-5-yl-[(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 has a molecular weight of 451.45 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,5-a]pyridin-5-yl-[(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 is sourced from PubChem (CID 146479663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).