4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-ethyl-1,3-thiazol-2-yl)benzamide

C24H26N6O2S — CID 71488573

IUPAC4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-ethyl-1,3-thiazol-2-yl)benzamide
SMILESCCc1cnc(NC(=O)c2ccc(-c3nc(C4CCC(O)CC4)n4ccnc(N)c34)cc2)s1
InChIInChI=1S/C24H26N6O2S/c1-2-18-13-27-24(33-18)29-23(32)16-5-3-14(4-6-16)19-20-21(25)26-11-12-30(20)22(28-19)15-7-9-17(31)10-8-15/h3-6,11-13,15,17,31H,2,7-10H2,1H3,(H2,25,26)(H,27,29,32)
InChIKeyNHCYDZJWKSBDDK-UHFFFAOYSA-N
MW462.58 g/mol
LogP4.27
Rot. Bonds5

About 4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-ethyl-1,3-thiazol-2-yl)benzamide

4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-ethyl-1,3-thiazol-2-yl)benzamide (PubChem CID 71488573) has the molecular formula C24H26N6O2S and a molecular weight of 462.58 g/mol. Its IUPAC name is 4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-ethyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-ethyl-1,3-thiazol-2-yl)benzamide
PubChem CID71488573
Molecular FormulaC24H26N6O2S
Molecular Weight462.58 g/mol
Exact Mass462.18
IUPAC Name4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-ethyl-1,3-thiazol-2-yl)benzamide
SMILESCCc1cnc(NC(=O)c2ccc(-c3nc(C4CCC(O)CC4)n4ccnc(N)c34)cc2)s1
InChIInChI=1S/C24H26N6O2S/c1-2-18-13-27-24(33-18)29-23(32)16-5-3-14(4-6-16)19-20-21(25)26-11-12-30(20)22(28-19)15-7-9-17(31)10-8-15/h3-6,11-13,15,17,31H,2,7-10H2,1H3,(H2,25,26)(H,27,29,32)
InChIKeyNHCYDZJWKSBDDK-UHFFFAOYSA-N
XLogP4.27
TPSA118.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-ethyl-1,3-thiazol-2-yl)benzamide 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 4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-ethyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-ethyl-1,3-thiazol-2-yl)benzamide (CID 71488573) is 4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-ethyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-ethyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-ethyl-1,3-thiazol-2-yl)benzamide is CCc1cnc(NC(=O)c2ccc(-c3nc(C4CCC(O)CC4)n4ccnc(N)c34)cc2)s1.
What is the InChIKey of 4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-ethyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is NHCYDZJWKSBDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2S/c1-2-18-13-27-24(33-18)29-23(32)16-5-3-14(4-6-16)19-20-21(25)26-11-12-30(20)22(28-19)15-7-9-17(31)10-8-15/h3-6,11-13,15,17,31H,2,7-10H2,1H3,(H2,25,26)(H,27,29,32).
What are the key properties of 4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-ethyl-1,3-thiazol-2-yl)benzamide?
4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-ethyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 462.58 g/mol, XLogP of 4.27, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-3-(4-hydroxycyclohexyl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-ethyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 71488573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).