(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone

C16H22N4O3S — CID 74246591

IUPAC(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
SMILESCc1ccn2c(C(=O)N3CCCN(S(C)(=O)=O)CC3)c(C)nc2c1
InChIInChI=1S/C16H22N4O3S/c1-12-5-8-20-14(11-12)17-13(2)15(20)16(21)18-6-4-7-19(10-9-18)24(3,22)23/h5,8,11H,4,6-7,9-10H2,1-3H3
InChIKeyVRYXTCVOZHPEIC-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.06
Rot. Bonds2

About (2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone

(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone (PubChem CID 74246591) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is (2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
PubChem CID74246591
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
SMILESCc1ccn2c(C(=O)N3CCCN(S(C)(=O)=O)CC3)c(C)nc2c1
InChIInChI=1S/C16H22N4O3S/c1-12-5-8-20-14(11-12)17-13(2)15(20)16(21)18-6-4-7-19(10-9-18)24(3,22)23/h5,8,11H,4,6-7,9-10H2,1-3H3
InChIKeyVRYXTCVOZHPEIC-UHFFFAOYSA-N
XLogP1.06
TPSA74.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of (2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone (CID 74246591) is (2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for (2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for (2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone is Cc1ccn2c(C(=O)N3CCCN(S(C)(=O)=O)CC3)c(C)nc2c1.
What is the InChIKey of (2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone?
The InChIKey is VRYXTCVOZHPEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-12-5-8-20-14(11-12)17-13(2)15(20)16(21)18-6-4-7-19(10-9-18)24(3,22)23/h5,8,11H,4,6-7,9-10H2,1-3H3.
What are the key properties of (2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone?
(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone has a molecular weight of 350.44 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 74246591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).