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

C24H29ClFN5O3 — CID 138462824

IUPAC5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-N-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide
SMILESCCOCC1(NC(=O)c2c(F)c(Cl)cc(Cc3nc(C)c4c(N)nccn34)c2OC(C)C)CC1
InChIInChI=1S/C24H29ClFN5O3/c1-5-33-12-24(6-7-24)30-23(32)18-19(26)16(25)10-15(21(18)34-13(2)3)11-17-29-14(4)20-22(27)28-8-9-31(17)20/h8-10,13H,5-7,11-12H2,1-4H3,(H2,27,28)(H,30,32)
InChIKeyAYXUPNUKJJHZHY-UHFFFAOYSA-N
MW489.98 g/mol
LogP4.09
Rot. Bonds9

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

5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-N-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide (PubChem CID 138462824) has the molecular formula C24H29ClFN5O3 and a molecular weight of 489.98 g/mol. Its IUPAC name is 5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-N-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide.

Molecular Properties

Compound Name5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-N-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide
PubChem CID138462824
Molecular FormulaC24H29ClFN5O3
Molecular Weight489.98 g/mol
Exact Mass489.19
IUPAC Name5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-N-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide
SMILESCCOCC1(NC(=O)c2c(F)c(Cl)cc(Cc3nc(C)c4c(N)nccn34)c2OC(C)C)CC1
InChIInChI=1S/C24H29ClFN5O3/c1-5-33-12-24(6-7-24)30-23(32)18-19(26)16(25)10-15(21(18)34-13(2)3)11-17-29-14(4)20-22(27)28-8-9-31(17)20/h8-10,13H,5-7,11-12H2,1-4H3,(H2,27,28)(H,30,32)
InChIKeyAYXUPNUKJJHZHY-UHFFFAOYSA-N
XLogP4.09
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.98
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-N-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide?
The IUPAC name of 5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-N-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide (CID 138462824) is 5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-N-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide.
What is the SMILES notation for 5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-N-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide?
The canonical SMILES for 5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-N-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide is CCOCC1(NC(=O)c2c(F)c(Cl)cc(Cc3nc(C)c4c(N)nccn34)c2OC(C)C)CC1.
What is the InChIKey of 5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-N-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide?
The InChIKey is AYXUPNUKJJHZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClFN5O3/c1-5-33-12-24(6-7-24)30-23(32)18-19(26)16(25)10-15(21(18)34-13(2)3)11-17-29-14(4)20-22(27)28-8-9-31(17)20/h8-10,13H,5-7,11-12H2,1-4H3,(H2,27,28)(H,30,32).
What are the key properties of 5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-N-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide?
5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-N-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide has a molecular weight of 489.98 g/mol, XLogP of 4.09, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)methyl]-3-chloro-N-[1-(ethoxymethyl)cyclopropyl]-2-fluoro-6-propan-2-yloxybenzamide is sourced from PubChem (CID 138462824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).