5-[3-[1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-5-chloro-2-ethoxy-6-fluorophenyl]-N,N-dimethylpyridine-2-carboxamide

C24H23Cl2FN6O2 — CID 134600593

IUPAC5-[3-[1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-5-chloro-2-ethoxy-6-fluorophenyl]-N,N-dimethylpyridine-2-carboxamide
SMILESCCOc1c(C(C)c2nc(Cl)c3c(N)nccn23)cc(Cl)c(F)c1-c1ccc(C(=O)N(C)C)nc1
InChIInChI=1S/C24H23Cl2FN6O2/c1-5-35-20-14(12(2)23-31-21(26)19-22(28)29-8-9-33(19)23)10-15(25)18(27)17(20)13-6-7-16(30-11-13)24(34)32(3)4/h6-12H,5H2,1-4H3,(H2,28,29)
InChIKeyRWQGASPTCLLIGN-UHFFFAOYSA-N
MW517.39 g/mol
LogP5.07
Rot. Bonds6

About 5-[3-[1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-5-chloro-2-ethoxy-6-fluorophenyl]-N,N-dimethylpyridine-2-carboxamide

5-[3-[1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-5-chloro-2-ethoxy-6-fluorophenyl]-N,N-dimethylpyridine-2-carboxamide (PubChem CID 134600593) has the molecular formula C24H23Cl2FN6O2 and a molecular weight of 517.39 g/mol. Its IUPAC name is 5-[3-[1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-5-chloro-2-ethoxy-6-fluorophenyl]-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[3-[1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-5-chloro-2-ethoxy-6-fluorophenyl]-N,N-dimethylpyridine-2-carboxamide
PubChem CID134600593
Molecular FormulaC24H23Cl2FN6O2
Molecular Weight517.39 g/mol
Exact Mass516.12
IUPAC Name5-[3-[1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-5-chloro-2-ethoxy-6-fluorophenyl]-N,N-dimethylpyridine-2-carboxamide
SMILESCCOc1c(C(C)c2nc(Cl)c3c(N)nccn23)cc(Cl)c(F)c1-c1ccc(C(=O)N(C)C)nc1
InChIInChI=1S/C24H23Cl2FN6O2/c1-5-35-20-14(12(2)23-31-21(26)19-22(28)29-8-9-33(19)23)10-15(25)18(27)17(20)13-6-7-16(30-11-13)24(34)32(3)4/h6-12H,5H2,1-4H3,(H2,28,29)
InChIKeyRWQGASPTCLLIGN-UHFFFAOYSA-N
XLogP5.07
TPSA98.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.39
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[3-[1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-5-chloro-2-ethoxy-6-fluorophenyl]-N,N-dimethylpyridine-2-carboxamide 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 5-[3-[1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-5-chloro-2-ethoxy-6-fluorophenyl]-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 5-[3-[1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-5-chloro-2-ethoxy-6-fluorophenyl]-N,N-dimethylpyridine-2-carboxamide (CID 134600593) is 5-[3-[1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-5-chloro-2-ethoxy-6-fluorophenyl]-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 5-[3-[1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-5-chloro-2-ethoxy-6-fluorophenyl]-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 5-[3-[1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-5-chloro-2-ethoxy-6-fluorophenyl]-N,N-dimethylpyridine-2-carboxamide is CCOc1c(C(C)c2nc(Cl)c3c(N)nccn23)cc(Cl)c(F)c1-c1ccc(C(=O)N(C)C)nc1.
What is the InChIKey of 5-[3-[1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-5-chloro-2-ethoxy-6-fluorophenyl]-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is RWQGASPTCLLIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2FN6O2/c1-5-35-20-14(12(2)23-31-21(26)19-22(28)29-8-9-33(19)23)10-15(25)18(27)17(20)13-6-7-16(30-11-13)24(34)32(3)4/h6-12H,5H2,1-4H3,(H2,28,29).
What are the key properties of 5-[3-[1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-5-chloro-2-ethoxy-6-fluorophenyl]-N,N-dimethylpyridine-2-carboxamide?
5-[3-[1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-5-chloro-2-ethoxy-6-fluorophenyl]-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 517.39 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[1-(8-amino-1-chloroimidazo[1,5-a]pyrazin-3-yl)ethyl]-5-chloro-2-ethoxy-6-fluorophenyl]-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 134600593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).