4-[3-[(6R,8aS)-1,1-difluoro-3-oxospiro[6,7,8,8a-tetrahydro-5H-indolizine-2,1'-cyclopropane]-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-(4-methyl-2-pyridinyl)benzamide;4-[3-[(6S,8aR)-1,1-difluoro-3-oxospiro[6,7,8,8a-tetrahydro-5H-indolizine-2,1'-cyclopropane]-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-(4-methyl-2-pyridinyl)benzamide

C62H62F4N14O6 — CID 161377177

About 4-[3-[(6R,8aS)-1,1-difluoro-3-oxospiro[6,7,8,8a-tetrahydro-5H-indolizine-2,1'-cyclopropane]-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-(4-methyl-2-pyridinyl)benzamide;4-[3-[(6S,8aR)-1,1-difluoro-3-oxospiro[6,7,8,8a-tetrahydro-5H-indolizine-2,1'-cyclopropane]-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-(4-methyl-2-pyridinyl)benzamide

4-[3-[(6R,8aS)-1,1-difluoro-3-oxospiro[6,7,8,8a-tetrahydro-5H-indolizine-2,1'-cyclopropane]-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-(4-methyl-2-pyridinyl)benzamide;4-[3-[(6S,8aR)-1,1-difluoro-3-oxospiro[6,7,8,8a-tetrahydro-5H-indolizine-2,1'-cyclopropane]-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-(4-methyl-2-pyridinyl)benzamide (PubChem CID 161377177) has the molecular formula C62H62F4N14O6 and a molecular weight of 1175.26 g/mol. Its IUPAC name is 4-[3-[(6R,8aS)-1,1-difluoro-3-oxospiro[6,7,8,8a-tetrahydro-5H-indolizine-2,1'-cyclopropane]-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-(4-methyl-2-pyridinyl)benzamide;4-[3-[(6S,8aR)-1,1-difluoro-3-oxospiro[6,7,8,8a-tetrahydro-5H-indolizine-2,1'-cyclopropane]-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-(4-methyl-2-pyridinyl)benzamide.

Molecular Properties

• Compound Name: 4-[3-[(6R,8aS)-1,1-difluoro-3-oxospiro[6,7,8,8a-tetrahydro-5H-indolizine-2,1'-cyclopropane]-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-(4-methyl-2-pyridinyl)benzamide;4-[3-[(6S,8aR)-1,1-difluoro-3-oxospiro[6,7,8,8a-tetrahydro-5H-indolizine-2,1'-cyclopropane]-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-(4-methyl-2-pyridinyl)benzamide
• PubChem CID: 161377177
• Molecular Formula: C62H62F4N14O6
• Molecular Weight: 1175.26 g/mol
• Exact Mass: 1174.49
• IUPAC Name: 4-[3-[(6R,8aS)-1,1-difluoro-3-oxospiro[6,7,8,8a-tetrahydro-5H-indolizine-2,1'-cyclopropane]-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-(4-methyl-2-pyridinyl)benzamide;4-[3-[(6S,8aR)-1,1-difluoro-3-oxospiro[6,7,8,8a-tetrahydro-5H-indolizine-2,1'-cyclopropane]-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-(4-methyl-2-pyridinyl)benzamide
• SMILES: CCOc1cc(C(=O)Nc2cc(C)ccn2)ccc1-c1nc([C@@H]2CC[C@@H]3N(C2)C(=O)C2(CC2)C3(F)F)n2ccnc(N)c12.CCOc1cc(C(=O)Nc2cc(C)ccn2)ccc1-c1nc([C@H]2CC[C@H]3N(C2)C(=O)C2(CC2)C3(F)F)n2ccnc(N)c12
• InChI: InChI=1S/2C31H31F2N7O3/c2*1-3-43-21-15-18(28(41)37-23-14-17(2)8-11-35-23)4-6-20(21)24-25-26(34)36-12-13-39(25)27(38-24)19-5-7-22-31(32,33)30(9-10-30)29(42)40(22)16-19/h2*4,6,8,11-15,19,22H,3,5,7,9-10,16H2,1-2H3,(H2,34,36)(H,35,37,41)/t2*19-,22+/m10/s1
• InChIKey: VRFOSOIXFATWNT-DRLFDTQJSA-N
• XLogP: 9.67
• TPSA: 255.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1175.26
LogP ≤ 5	9.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(6R,8aS)-1,1-difluoro-3-oxospiro[6,7,8,8a-tetrahydro-5H-indolizine-2,1'-cyclopropane]-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-(4-methyl-2-pyridinyl)benzamide;4-[3-[(6S,8aR)-1,1-difluoro-3-oxospiro[6,7,8,8a-tetrahydro-5H-indolizine-2,1'-cyclopropane]-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-(4-methyl-2-pyridinyl)benzamide?

The IUPAC name of 4-[3-[(6R,8aS)-1,1-difluoro-3-oxospiro[6,7,8,8a-tetrahydro-5H-indolizine-2,1'-cyclopropane]-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-(4-methyl-2-pyridinyl)benzamide;4-[3-[(6S,8aR)-1,1-difluoro-3-oxospiro[6,7,8,8a-tetrahydro-5H-indolizine-2,1'-cyclopropane]-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-(4-methyl-2-pyridinyl)benzamide (CID 161377177) is 4-[3-[(6R,8aS)-1,1-difluoro-3-oxospiro[6,7,8,8a-tetrahydro-5H-indolizine-2,1'-cyclopropane]-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-(4-methyl-2-pyridinyl)benzamide;4-[3-[(6S,8aR)-1,1-difluoro-3-oxospiro[6,7,8,8a-tetrahydro-5H-indolizine-2,1'-cyclopropane]-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-(4-methyl-2-pyridinyl)benzamide.

What is the SMILES notation for 4-[3-[(6R,8aS)-1,1-difluoro-3-oxospiro[6,7,8,8a-tetrahydro-5H-indolizine-2,1'-cyclopropane]-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-(4-methyl-2-pyridinyl)benzamide;4-[3-[(6S,8aR)-1,1-difluoro-3-oxospiro[6,7,8,8a-tetrahydro-5H-indolizine-2,1'-cyclopropane]-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-(4-methyl-2-pyridinyl)benzamide?

The canonical SMILES for 4-[3-[(6R,8aS)-1,1-difluoro-3-oxospiro[6,7,8,8a-tetrahydro-5H-indolizine-2,1'-cyclopropane]-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-(4-methyl-2-pyridinyl)benzamide;4-[3-[(6S,8aR)-1,1-difluoro-3-oxospiro[6,7,8,8a-tetrahydro-5H-indolizine-2,1'-cyclopropane]-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-(4-methyl-2-pyridinyl)benzamide is CCOc1cc(C(=O)Nc2cc(C)ccn2)ccc1-c1nc([C@@H]2CC[C@@H]3N(C2)C(=O)C2(CC2)C3(F)F)n2ccnc(N)c12.CCOc1cc(C(=O)Nc2cc(C)ccn2)ccc1-c1nc([C@H]2CC[C@H]3N(C2)C(=O)C2(CC2)C3(F)F)n2ccnc(N)c12.

What is the InChIKey of 4-[3-[(6R,8aS)-1,1-difluoro-3-oxospiro[6,7,8,8a-tetrahydro-5H-indolizine-2,1'-cyclopropane]-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-(4-methyl-2-pyridinyl)benzamide;4-[3-[(6S,8aR)-1,1-difluoro-3-oxospiro[6,7,8,8a-tetrahydro-5H-indolizine-2,1'-cyclopropane]-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-(4-methyl-2-pyridinyl)benzamide?

The InChIKey is VRFOSOIXFATWNT-DRLFDTQJSA-N. The full InChI is InChI=1S/2C31H31F2N7O3/c2*1-3-43-21-15-18(28(41)37-23-14-17(2)8-11-35-23)4-6-20(21)24-25-26(34)36-12-13-39(25)27(38-24)19-5-7-22-31(32,33)30(9-10-30)29(42)40(22)16-19/h2*4,6,8,11-15,19,22H,3,5,7,9-10,16H2,1-2H3,(H2,34,36)(H,35,37,41)/t2*19-,22+/m10/s1.

What are the key properties of 4-[3-[(6R,8aS)-1,1-difluoro-3-oxospiro[6,7,8,8a-tetrahydro-5H-indolizine-2,1'-cyclopropane]-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-(4-methyl-2-pyridinyl)benzamide;4-[3-[(6S,8aR)-1,1-difluoro-3-oxospiro[6,7,8,8a-tetrahydro-5H-indolizine-2,1'-cyclopropane]-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-(4-methyl-2-pyridinyl)benzamide?

4-[3-[(6R,8aS)-1,1-difluoro-3-oxospiro[6,7,8,8a-tetrahydro-5H-indolizine-2,1'-cyclopropane]-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-(4-methyl-2-pyridinyl)benzamide;4-[3-[(6S,8aR)-1,1-difluoro-3-oxospiro[6,7,8,8a-tetrahydro-5H-indolizine-2,1'-cyclopropane]-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-(4-methyl-2-pyridinyl)benzamide has a molecular weight of 1175.26 g/mol, XLogP of 9.67, 12 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[(6R,8aS)-1,1-difluoro-3-oxospiro[6,7,8,8a-tetrahydro-5H-indolizine-2,1'-cyclopropane]-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-(4-methyl-2-pyridinyl)benzamide;4-[3-[(6S,8aR)-1,1-difluoro-3-oxospiro[6,7,8,8a-tetrahydro-5H-indolizine-2,1'-cyclopropane]-6-yl]-8-aminoimidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-(4-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 161377177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).