5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide

C25H31ClFN5O3 — CID 138463167

IUPAC5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide
SMILESCCOCC1(NC(=O)c2c(F)c(Cl)cc(C(C)c3nc(C)c4c(N)nccn34)c2OC(C)C)CC1
InChIInChI=1S/C25H31ClFN5O3/c1-6-34-12-25(7-8-25)31-24(33)18-19(27)17(26)11-16(21(18)35-13(2)3)14(4)23-30-15(5)20-22(28)29-9-10-32(20)23/h9-11,13-14H,6-8,12H2,1-5H3,(H2,28,29)(H,31,33)
InChIKeyXZPKLPQQVRDOSG-UHFFFAOYSA-N
MW504.01 g/mol
LogP4.65
Rot. Bonds9

About 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide

5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide (PubChem CID 138463167) has the molecular formula C25H31ClFN5O3 and a molecular weight of 504.01 g/mol. Its IUPAC name is 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide.

Molecular Properties

Compound Name5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide
PubChem CID138463167
Molecular FormulaC25H31ClFN5O3
Molecular Weight504.01 g/mol
Exact Mass503.21
IUPAC Name5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide
SMILESCCOCC1(NC(=O)c2c(F)c(Cl)cc(C(C)c3nc(C)c4c(N)nccn34)c2OC(C)C)CC1
InChIInChI=1S/C25H31ClFN5O3/c1-6-34-12-25(7-8-25)31-24(33)18-19(27)17(26)11-16(21(18)35-13(2)3)14(4)23-30-15(5)20-22(28)29-9-10-32(20)23/h9-11,13-14H,6-8,12H2,1-5H3,(H2,28,29)(H,31,33)
InChIKeyXZPKLPQQVRDOSG-UHFFFAOYSA-N
XLogP4.65
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.01
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide 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-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide?
The IUPAC name of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide (CID 138463167) is 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide.
What is the SMILES notation for 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide?
The canonical SMILES for 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide is CCOCC1(NC(=O)c2c(F)c(Cl)cc(C(C)c3nc(C)c4c(N)nccn34)c2OC(C)C)CC1.
What is the InChIKey of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide?
The InChIKey is XZPKLPQQVRDOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClFN5O3/c1-6-34-12-25(7-8-25)31-24(33)18-19(27)17(26)11-16(21(18)35-13(2)3)14(4)23-30-15(5)20-22(28)29-9-10-32(20)23/h9-11,13-14H,6-8,12H2,1-5H3,(H2,28,29)(H,31,33).
What are the key properties of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide?
5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide has a molecular weight of 504.01 g/mol, XLogP of 4.65, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-N-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide is sourced from PubChem (CID 138463167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).