[(4R)-1,4-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone

C19H20N4O — CID 124607133

IUPAC[(4R)-1,4-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
SMILESC[C@@H]1CCN(C)c2ccccc2N1C(=O)c1ccc2nccn2c1
InChIInChI=1S/C19H20N4O/c1-14-9-11-21(2)16-5-3-4-6-17(16)23(14)19(24)15-7-8-18-20-10-12-22(18)13-15/h3-8,10,12-14H,9,11H2,1-2H3/t14-/m1/s1
InChIKeyNWVVEJSDBLXEOX-CQSZACIVSA-N
MW320.40 g/mol
LogP3.21
Rot. Bonds1

About [(4R)-1,4-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone

[(4R)-1,4-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone (PubChem CID 124607133) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is [(4R)-1,4-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone.

Molecular Properties

Compound Name[(4R)-1,4-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
PubChem CID124607133
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name[(4R)-1,4-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
SMILESC[C@@H]1CCN(C)c2ccccc2N1C(=O)c1ccc2nccn2c1
InChIInChI=1S/C19H20N4O/c1-14-9-11-21(2)16-5-3-4-6-17(16)23(14)19(24)15-7-8-18-20-10-12-22(18)13-15/h3-8,10,12-14H,9,11H2,1-2H3/t14-/m1/s1
InChIKeyNWVVEJSDBLXEOX-CQSZACIVSA-N
XLogP3.21
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(4R)-1,4-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone?
The IUPAC name of [(4R)-1,4-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone (CID 124607133) is [(4R)-1,4-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone.
What is the SMILES notation for [(4R)-1,4-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone?
The canonical SMILES for [(4R)-1,4-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone is C[C@@H]1CCN(C)c2ccccc2N1C(=O)c1ccc2nccn2c1.
What is the InChIKey of [(4R)-1,4-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone?
The InChIKey is NWVVEJSDBLXEOX-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20N4O/c1-14-9-11-21(2)16-5-3-4-6-17(16)23(14)19(24)15-7-8-18-20-10-12-22(18)13-15/h3-8,10,12-14H,9,11H2,1-2H3/t14-/m1/s1.
What are the key properties of [(4R)-1,4-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone?
[(4R)-1,4-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone has a molecular weight of 320.40 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-1,4-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl]-imidazo[1,2-a]pyridin-6-ylmethanone is sourced from PubChem (CID 124607133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).