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

C23H27ClFN5O3 — CID 175019801

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

5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(1R,2R)-2-hydroxycyclobutyl]-6-propan-2-yloxybenzamide (PubChem CID 175019801) has the molecular formula C23H27ClFN5O3 and a molecular weight of 475.95 g/mol. Its IUPAC name is 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(1R,2R)-2-hydroxycyclobutyl]-6-propan-2-yloxybenzamide.

Molecular Properties

• Compound Name: 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(1R,2R)-2-hydroxycyclobutyl]-6-propan-2-yloxybenzamide
• PubChem CID: 175019801
• Molecular Formula: C23H27ClFN5O3
• Molecular Weight: 475.95 g/mol
• Exact Mass: 475.18
• IUPAC Name: 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(1R,2R)-2-hydroxycyclobutyl]-6-propan-2-yloxybenzamide
• SMILES: Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)N[C@@H]3CC[C@H]3O)c2OC(C)C)n2ccnc(N)c12
• InChI: InChI=1S/C23H27ClFN5O3/c1-10(2)33-20-13(11(3)22-28-12(4)19-21(26)27-7-8-30(19)22)9-14(24)18(25)17(20)23(32)29-15-5-6-16(15)31/h7-11,15-16,31H,5-6H2,1-4H3,(H2,26,27)(H,29,32)/t11?,15-,16-/m1/s1
• InChIKey: ZUQGXWRWCRBTEF-HJWAUIETSA-N
• XLogP: 3.60
• TPSA: 114.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.95
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(1R,2R)-2-hydroxycyclobutyl]-6-propan-2-yloxybenzamide (CID 175019801) is 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(1R,2R)-2-hydroxycyclobutyl]-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-2-fluoro-N-[(1R,2R)-2-hydroxycyclobutyl]-6-propan-2-yloxybenzamide?

The canonical SMILES for 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(1R,2R)-2-hydroxycyclobutyl]-6-propan-2-yloxybenzamide is Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)N[C@@H]3CC[C@H]3O)c2OC(C)C)n2ccnc(N)c12.

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

The InChIKey is ZUQGXWRWCRBTEF-HJWAUIETSA-N. The full InChI is InChI=1S/C23H27ClFN5O3/c1-10(2)33-20-13(11(3)22-28-12(4)19-21(26)27-7-8-30(19)22)9-14(24)18(25)17(20)23(32)29-15-5-6-16(15)31/h7-11,15-16,31H,5-6H2,1-4H3,(H2,26,27)(H,29,32)/t11?,15-,16-/m1/s1.

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

5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(1R,2R)-2-hydroxycyclobutyl]-6-propan-2-yloxybenzamide has a molecular weight of 475.95 g/mol, XLogP of 3.60, 6 rotatable bonds, 3 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-2-fluoro-N-[(1R,2R)-2-hydroxycyclobutyl]-6-propan-2-yloxybenzamide is sourced from PubChem (CID 175019801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).