5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxycyclobutyl)-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-methoxypiperidin-1-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2-oxa-7-azaspiro[3.5]nonan-7-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(6-oxa-2-azaspiro[3.4]octan-2-yl)methanone

C99H118Cl4F4N20O12 — CID 163791507

About 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxycyclobutyl)-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-methoxypiperidin-1-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2-oxa-7-azaspiro[3.5]nonan-7-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(6-oxa-2-azaspiro[3.4]octan-2-yl)methanone

5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxycyclobutyl)-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-methoxypiperidin-1-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2-oxa-7-azaspiro[3.5]nonan-7-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(6-oxa-2-azaspiro[3.4]octan-2-yl)methanone (PubChem CID 163791507) has the molecular formula C99H118Cl4F4N20O12 and a molecular weight of 1997.96 g/mol. Its IUPAC name is 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxycyclobutyl)-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-methoxypiperidin-1-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2-oxa-7-azaspiro[3.5]nonan-7-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(6-oxa-2-azaspiro[3.4]octan-2-yl)methanone.

Molecular Properties

• Compound Name: 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxycyclobutyl)-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-methoxypiperidin-1-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2-oxa-7-azaspiro[3.5]nonan-7-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(6-oxa-2-azaspiro[3.4]octan-2-yl)methanone
• PubChem CID: 163791507
• Molecular Formula: C99H118Cl4F4N20O12
• Molecular Weight: 1997.96 g/mol
• Exact Mass: 1994.79
• IUPAC Name: 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxycyclobutyl)-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-methoxypiperidin-1-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2-oxa-7-azaspiro[3.5]nonan-7-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(6-oxa-2-azaspiro[3.4]octan-2-yl)methanone
• SMILES: COC1CCCN(C(=O)c2c(F)c(Cl)cc(C(C)c3nc(C)c4c(N)nccn34)c2OC(C)C)C1.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)N3CC4(CCOC4)C3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)N3CCC4(CC3)COC4)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC3CC(O)C3)c2OC(C)C)n2ccnc(N)c12
• InChI: InChI=1S/C26H31ClFN5O3.C25H29ClFN5O3.C25H31ClFN5O3.C23H27ClFN5O3/c1-14(2)36-22-17(15(3)24-31-16(4)21-23(29)30-7-10-33(21)24)11-18(27)20(28)19(22)25(34)32-8-5-26(6-9-32)12-35-13-26;1-13(2)35-21-16(14(3)23-30-15(4)20-22(28)29-6-7-32(20)23)9-17(26)19(27)18(21)24(33)31-10-25(11-31)5-8-34-12-25;1-13(2)35-22-17(14(3)24-30-15(4)21-23(28)29-8-10-32(21)24)11-18(26)20(27)19(22)25(33)31-9-6-7-16(12-31)34-5;1-10(2)33-20-15(11(3)22-28-12(4)19-21(26)27-5-6-30(19)22)9-16(24)18(25)17(20)23(32)29-13-7-14(31)8-13/h7,10-11,14-15H,5-6,8-9,12-13H2,1-4H3,(H2,29,30);6-7,9,13-14H,5,8,10-12H2,1-4H3,(H2,28,29);8,10-11,13-14,16H,6-7,9,12H2,1-5H3,(H2,28,29);5-6,9-11,13-14,31H,7-8H2,1-4H3,(H2,26,27)(H,29,32)
• InChIKey: MXEJLCPWFWSZLC-UHFFFAOYSA-N
• XLogP: 17.02
• TPSA: 399.71 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 22
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1997.96
LogP ≤ 5	17.02
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

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-(3-hydroxycyclobutyl)-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-methoxypiperidin-1-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2-oxa-7-azaspiro[3.5]nonan-7-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(6-oxa-2-azaspiro[3.4]octan-2-yl)methanone?

The IUPAC name of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxycyclobutyl)-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-methoxypiperidin-1-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2-oxa-7-azaspiro[3.5]nonan-7-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(6-oxa-2-azaspiro[3.4]octan-2-yl)methanone (CID 163791507) is 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxycyclobutyl)-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-methoxypiperidin-1-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2-oxa-7-azaspiro[3.5]nonan-7-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(6-oxa-2-azaspiro[3.4]octan-2-yl)methanone.

What is the SMILES notation for 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxycyclobutyl)-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-methoxypiperidin-1-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2-oxa-7-azaspiro[3.5]nonan-7-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(6-oxa-2-azaspiro[3.4]octan-2-yl)methanone?

The canonical SMILES for 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxycyclobutyl)-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-methoxypiperidin-1-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2-oxa-7-azaspiro[3.5]nonan-7-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(6-oxa-2-azaspiro[3.4]octan-2-yl)methanone is COC1CCCN(C(=O)c2c(F)c(Cl)cc(C(C)c3nc(C)c4c(N)nccn34)c2OC(C)C)C1.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)N3CC4(CCOC4)C3)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)N3CCC4(CC3)COC4)c2OC(C)C)n2ccnc(N)c12.Cc1nc(C(C)c2cc(Cl)c(F)c(C(=O)NC3CC(O)C3)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-(3-hydroxycyclobutyl)-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-methoxypiperidin-1-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2-oxa-7-azaspiro[3.5]nonan-7-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(6-oxa-2-azaspiro[3.4]octan-2-yl)methanone?

The InChIKey is MXEJLCPWFWSZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClFN5O3.C25H29ClFN5O3.C25H31ClFN5O3.C23H27ClFN5O3/c1-14(2)36-22-17(15(3)24-31-16(4)21-23(29)30-7-10-33(21)24)11-18(27)20(28)19(22)25(34)32-8-5-26(6-9-32)12-35-13-26;1-13(2)35-21-16(14(3)23-30-15(4)20-22(28)29-6-7-32(20)23)9-17(26)19(27)18(21)24(33)31-10-25(11-31)5-8-34-12-25;1-13(2)35-22-17(14(3)24-30-15(4)21-23(28)29-8-10-32(21)24)11-18(26)20(27)19(22)25(33)31-9-6-7-16(12-31)34-5;1-10(2)33-20-15(11(3)22-28-12(4)19-21(26)27-5-6-30(19)22)9-16(24)18(25)17(20)23(32)29-13-7-14(31)8-13/h7,10-11,14-15H,5-6,8-9,12-13H2,1-4H3,(H2,29,30);6-7,9,13-14H,5,8,10-12H2,1-4H3,(H2,28,29);8,10-11,13-14,16H,6-7,9,12H2,1-5H3,(H2,28,29);5-6,9-11,13-14,31H,7-8H2,1-4H3,(H2,26,27)(H,29,32).

What are the key properties of 5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxycyclobutyl)-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-methoxypiperidin-1-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2-oxa-7-azaspiro[3.5]nonan-7-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(6-oxa-2-azaspiro[3.4]octan-2-yl)methanone?

5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-(3-hydroxycyclobutyl)-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-methoxypiperidin-1-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2-oxa-7-azaspiro[3.5]nonan-7-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(6-oxa-2-azaspiro[3.4]octan-2-yl)methanone has a molecular weight of 1997.96 g/mol, XLogP of 17.02, 22 rotatable bonds, 6 hydrogen bond donors, and 28 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-(3-hydroxycyclobutyl)-6-propan-2-yloxybenzamide;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(3-methoxypiperidin-1-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(2-oxa-7-azaspiro[3.5]nonan-7-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(6-oxa-2-azaspiro[3.4]octan-2-yl)methanone is sourced from PubChem (CID 163791507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).