[(1S,8R)-5-(3,5-dichlorophenyl)-4-methyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl]-imidazo[1,2-a]pyridin-3-ylmethanone

C24H21Cl2N5O — CID 146454777

IUPAC[(1S,8R)-5-(3,5-dichlorophenyl)-4-methyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl]-imidazo[1,2-a]pyridin-3-ylmethanone
SMILESCn1nc2c(c1-c1cc(Cl)cc(Cl)c1)C[C@H]1CCC[C@@H]2N1C(=O)c1cnc2ccccn12
InChIInChI=1S/C24H21Cl2N5O/c1-29-23(14-9-15(25)11-16(26)10-14)18-12-17-5-4-6-19(22(18)28-29)31(17)24(32)20-13-27-21-7-2-3-8-30(20)21/h2-3,7-11,13,17,19H,4-6,12H2,1H3/t17-,19+/m1/s1
InChIKeyQFWBSNZLZUPREY-MJGOQNOKSA-N
MW466.37 g/mol
LogP5.33
Rot. Bonds2

About [(1S,8R)-5-(3,5-dichlorophenyl)-4-methyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl]-imidazo[1,2-a]pyridin-3-ylmethanone

[(1S,8R)-5-(3,5-dichlorophenyl)-4-methyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl]-imidazo[1,2-a]pyridin-3-ylmethanone (PubChem CID 146454777) has the molecular formula C24H21Cl2N5O and a molecular weight of 466.37 g/mol. Its IUPAC name is [(1S,8R)-5-(3,5-dichlorophenyl)-4-methyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl]-imidazo[1,2-a]pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(1S,8R)-5-(3,5-dichlorophenyl)-4-methyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl]-imidazo[1,2-a]pyridin-3-ylmethanone
PubChem CID146454777
Molecular FormulaC24H21Cl2N5O
Molecular Weight466.37 g/mol
Exact Mass465.11
IUPAC Name[(1S,8R)-5-(3,5-dichlorophenyl)-4-methyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl]-imidazo[1,2-a]pyridin-3-ylmethanone
SMILESCn1nc2c(c1-c1cc(Cl)cc(Cl)c1)C[C@H]1CCC[C@@H]2N1C(=O)c1cnc2ccccn12
InChIInChI=1S/C24H21Cl2N5O/c1-29-23(14-9-15(25)11-16(26)10-14)18-12-17-5-4-6-19(22(18)28-29)31(17)24(32)20-13-27-21-7-2-3-8-30(20)21/h2-3,7-11,13,17,19H,4-6,12H2,1H3/t17-,19+/m1/s1
InChIKeyQFWBSNZLZUPREY-MJGOQNOKSA-N
XLogP5.33
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.37
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(1S,8R)-5-(3,5-dichlorophenyl)-4-methyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl]-imidazo[1,2-a]pyridin-3-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1S,8R)-5-(3,5-dichlorophenyl)-4-methyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl]-imidazo[1,2-a]pyridin-3-ylmethanone?
The IUPAC name of [(1S,8R)-5-(3,5-dichlorophenyl)-4-methyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl]-imidazo[1,2-a]pyridin-3-ylmethanone (CID 146454777) is [(1S,8R)-5-(3,5-dichlorophenyl)-4-methyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl]-imidazo[1,2-a]pyridin-3-ylmethanone.
What is the SMILES notation for [(1S,8R)-5-(3,5-dichlorophenyl)-4-methyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl]-imidazo[1,2-a]pyridin-3-ylmethanone?
The canonical SMILES for [(1S,8R)-5-(3,5-dichlorophenyl)-4-methyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl]-imidazo[1,2-a]pyridin-3-ylmethanone is Cn1nc2c(c1-c1cc(Cl)cc(Cl)c1)C[C@H]1CCC[C@@H]2N1C(=O)c1cnc2ccccn12.
What is the InChIKey of [(1S,8R)-5-(3,5-dichlorophenyl)-4-methyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl]-imidazo[1,2-a]pyridin-3-ylmethanone?
The InChIKey is QFWBSNZLZUPREY-MJGOQNOKSA-N. The full InChI is InChI=1S/C24H21Cl2N5O/c1-29-23(14-9-15(25)11-16(26)10-14)18-12-17-5-4-6-19(22(18)28-29)31(17)24(32)20-13-27-21-7-2-3-8-30(20)21/h2-3,7-11,13,17,19H,4-6,12H2,1H3/t17-,19+/m1/s1.
What are the key properties of [(1S,8R)-5-(3,5-dichlorophenyl)-4-methyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl]-imidazo[1,2-a]pyridin-3-ylmethanone?
[(1S,8R)-5-(3,5-dichlorophenyl)-4-methyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl]-imidazo[1,2-a]pyridin-3-ylmethanone has a molecular weight of 466.37 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,8R)-5-(3,5-dichlorophenyl)-4-methyl-3,4,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-dien-12-yl]-imidazo[1,2-a]pyridin-3-ylmethanone is sourced from PubChem (CID 146454777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).