1-[1-methyl-4-(5-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone

C23H23N5OS — CID 158092429

IUPAC1-[1-methyl-4-(5-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone
SMILESCc1cnc(-c2cnn(C)c2C(=O)CC2CCn3cc(-c4ccccc4)nc3C2)s1
InChIInChI=1S/C23H23N5OS/c1-15-12-24-23(30-15)18-13-25-27(2)22(18)20(29)10-16-8-9-28-14-19(26-21(28)11-16)17-6-4-3-5-7-17/h3-7,12-14,16H,8-11H2,1-2H3
InChIKeyDQCZEGVZJXTXRU-UHFFFAOYSA-N
MW417.54 g/mol
LogP4.55
Rot. Bonds5

About 1-[1-methyl-4-(5-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone

1-[1-methyl-4-(5-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone (PubChem CID 158092429) has the molecular formula C23H23N5OS and a molecular weight of 417.54 g/mol. Its IUPAC name is 1-[1-methyl-4-(5-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone.

Molecular Properties

Compound Name1-[1-methyl-4-(5-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone
PubChem CID158092429
Molecular FormulaC23H23N5OS
Molecular Weight417.54 g/mol
Exact Mass417.16
IUPAC Name1-[1-methyl-4-(5-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone
SMILESCc1cnc(-c2cnn(C)c2C(=O)CC2CCn3cc(-c4ccccc4)nc3C2)s1
InChIInChI=1S/C23H23N5OS/c1-15-12-24-23(30-15)18-13-25-27(2)22(18)20(29)10-16-8-9-28-14-19(26-21(28)11-16)17-6-4-3-5-7-17/h3-7,12-14,16H,8-11H2,1-2H3
InChIKeyDQCZEGVZJXTXRU-UHFFFAOYSA-N
XLogP4.55
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[1-methyl-4-(5-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone 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 1-[1-methyl-4-(5-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone?
The IUPAC name of 1-[1-methyl-4-(5-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone (CID 158092429) is 1-[1-methyl-4-(5-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone.
What is the SMILES notation for 1-[1-methyl-4-(5-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone?
The canonical SMILES for 1-[1-methyl-4-(5-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone is Cc1cnc(-c2cnn(C)c2C(=O)CC2CCn3cc(-c4ccccc4)nc3C2)s1.
What is the InChIKey of 1-[1-methyl-4-(5-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone?
The InChIKey is DQCZEGVZJXTXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5OS/c1-15-12-24-23(30-15)18-13-25-27(2)22(18)20(29)10-16-8-9-28-14-19(26-21(28)11-16)17-6-4-3-5-7-17/h3-7,12-14,16H,8-11H2,1-2H3.
What are the key properties of 1-[1-methyl-4-(5-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone?
1-[1-methyl-4-(5-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone has a molecular weight of 417.54 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-4-(5-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone is sourced from PubChem (CID 158092429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).