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

C24H27ClFN5O3 — CID 163504588

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

N-(1-acetylcyclopropyl)-5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxybenzamide (PubChem CID 163504588) has the molecular formula C24H27ClFN5O3 and a molecular weight of 487.96 g/mol. Its IUPAC name is N-(1-acetylcyclopropyl)-5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxybenzamide.

Molecular Properties

• Compound Name: N-(1-acetylcyclopropyl)-5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxybenzamide
• PubChem CID: 163504588
• Molecular Formula: C24H27ClFN5O3
• Molecular Weight: 487.96 g/mol
• Exact Mass: 487.18
• IUPAC Name: N-(1-acetylcyclopropyl)-5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxybenzamide
• SMILES: CC(=O)C1(NC(=O)c2c(F)c(Cl)cc(C(C)c3nc(C)c4c(N)nccn34)c2OC(C)C)CC1
• InChI: InChI=1S/C24H27ClFN5O3/c1-11(2)34-20-15(12(3)22-29-13(4)19-21(27)28-8-9-31(19)22)10-16(25)18(26)17(20)23(33)30-24(6-7-24)14(5)32/h8-12H,6-7H2,1-5H3,(H2,27,28)(H,30,33)
• InChIKey: ZFZJHJIPSRSCDF-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 111.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.96
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylcyclopropyl)-5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxybenzamide?

The IUPAC name of N-(1-acetylcyclopropyl)-5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxybenzamide (CID 163504588) is N-(1-acetylcyclopropyl)-5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxybenzamide.

What is the SMILES notation for N-(1-acetylcyclopropyl)-5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxybenzamide?

The canonical SMILES for N-(1-acetylcyclopropyl)-5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxybenzamide is CC(=O)C1(NC(=O)c2c(F)c(Cl)cc(C(C)c3nc(C)c4c(N)nccn34)c2OC(C)C)CC1.

What is the InChIKey of N-(1-acetylcyclopropyl)-5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxybenzamide?

The InChIKey is ZFZJHJIPSRSCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClFN5O3/c1-11(2)34-20-15(12(3)22-29-13(4)19-21(27)28-8-9-31(19)22)10-16(25)18(26)17(20)23(33)30-24(6-7-24)14(5)32/h8-12H,6-7H2,1-5H3,(H2,27,28)(H,30,33).

What are the key properties of N-(1-acetylcyclopropyl)-5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxybenzamide?

N-(1-acetylcyclopropyl)-5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxybenzamide has a molecular weight of 487.96 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-acetylcyclopropyl)-5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxybenzamide is sourced from PubChem (CID 163504588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).