[(3R)-3-[5-butoxy-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-phenylmethanone;1-[(3R)-3-[5-cyclobutyloxy-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(3R)-3-[5-cyclobutyloxy-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-(oxolan-3-yloxy)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one

C126H120F4N16O17 — CID 160635813

About [(3R)-3-[5-butoxy-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-phenylmethanone;1-[(3R)-3-[5-cyclobutyloxy-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(3R)-3-[5-cyclobutyloxy-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-(oxolan-3-yloxy)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one

[(3R)-3-[5-butoxy-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-phenylmethanone;1-[(3R)-3-[5-cyclobutyloxy-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(3R)-3-[5-cyclobutyloxy-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-(oxolan-3-yloxy)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one (PubChem CID 160635813) has the molecular formula C126H120F4N16O17 and a molecular weight of 2206.43 g/mol. Its IUPAC name is [(3R)-3-[5-butoxy-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-phenylmethanone;1-[(3R)-3-[5-cyclobutyloxy-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(3R)-3-[5-cyclobutyloxy-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-(oxolan-3-yloxy)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one.

Molecular Properties

• Compound Name: [(3R)-3-[5-butoxy-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-phenylmethanone;1-[(3R)-3-[5-cyclobutyloxy-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(3R)-3-[5-cyclobutyloxy-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-(oxolan-3-yloxy)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one
• PubChem CID: 160635813
• Molecular Formula: C126H120F4N16O17
• Molecular Weight: 2206.43 g/mol
• Exact Mass: 2204.90
• IUPAC Name: [(3R)-3-[5-butoxy-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-phenylmethanone;1-[(3R)-3-[5-cyclobutyloxy-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(3R)-3-[5-cyclobutyloxy-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-(oxolan-3-yloxy)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one
• SMILES: C=CC(=O)N1CC[C@@H](c2nc(-c3ccc(Oc4cccc(OC)c4F)cc3)c3cncc(OC4CCC4)n23)C1.CC#CC(=O)N1CC[C@@H](c2nc(-c3ccc(Oc4cccc(OC)c4F)cc3)c3cncc(OC4CCC4)n23)C1.CC#CC(=O)N1CC[C@@H](c2nc(-c3ccc(Oc4cccc(OC)c4F)cc3)c3cncc(OC4CCOC4)n23)C1.CCCCOc1cncc2c(-c3ccc(Oc4cccc(OC)c4F)cc3)nc([C@@H]3CCN(C(=O)c4ccccc4)C3)n12
• InChI: InChI=1S/C34H33FN4O4.C31H29FN4O5.C31H29FN4O4.C30H29FN4O4/c1-3-4-19-42-30-21-36-20-27-32(23-13-15-26(16-14-23)43-29-12-8-11-28(41-2)31(29)35)37-33(39(27)30)25-17-18-38(22-25)34(40)24-9-6-5-7-10-24;1-3-5-27(37)35-14-12-21(18-35)31-34-30(24-16-33-17-28(36(24)31)41-23-13-15-39-19-23)20-8-10-22(11-9-20)40-26-7-4-6-25(38-2)29(26)32;1-3-6-27(37)35-16-15-21(19-35)31-34-30(24-17-33-18-28(36(24)31)40-22-7-4-8-22)20-11-13-23(14-12-20)39-26-10-5-9-25(38-2)29(26)32;1-3-26(36)34-15-14-20(18-34)30-33-29(23-16-32-17-27(35(23)30)39-21-6-4-7-21)19-10-12-22(13-11-19)38-25-9-5-8-24(37-2)28(25)31/h5-16,20-21,25H,3-4,17-19,22H2,1-2H3;4,6-11,16-17,21,23H,12-15,18-19H2,1-2H3;5,9-14,17-18,21-22H,4,7-8,15-16,19H2,1-2H3;3,5,8-13,16-17,20-21H,1,4,6-7,14-15,18H2,2H3/t25-;21-,23?;21-;20-/m1111/s1
• InChIKey: RINFVXYYSNOYQQ-DJGBYPSCSA-N
• XLogP: 23.36
• TPSA: 321.99 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 32
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2206.43
LogP ≤ 5	23.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[5-butoxy-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-phenylmethanone;1-[(3R)-3-[5-cyclobutyloxy-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(3R)-3-[5-cyclobutyloxy-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-(oxolan-3-yloxy)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one?

The IUPAC name of [(3R)-3-[5-butoxy-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-phenylmethanone;1-[(3R)-3-[5-cyclobutyloxy-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(3R)-3-[5-cyclobutyloxy-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-(oxolan-3-yloxy)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one (CID 160635813) is [(3R)-3-[5-butoxy-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-phenylmethanone;1-[(3R)-3-[5-cyclobutyloxy-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(3R)-3-[5-cyclobutyloxy-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-(oxolan-3-yloxy)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one.

What is the SMILES notation for [(3R)-3-[5-butoxy-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-phenylmethanone;1-[(3R)-3-[5-cyclobutyloxy-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(3R)-3-[5-cyclobutyloxy-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-(oxolan-3-yloxy)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one?

The canonical SMILES for [(3R)-3-[5-butoxy-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-phenylmethanone;1-[(3R)-3-[5-cyclobutyloxy-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(3R)-3-[5-cyclobutyloxy-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-(oxolan-3-yloxy)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one is C=CC(=O)N1CC[C@@H](c2nc(-c3ccc(Oc4cccc(OC)c4F)cc3)c3cncc(OC4CCC4)n23)C1.CC#CC(=O)N1CC[C@@H](c2nc(-c3ccc(Oc4cccc(OC)c4F)cc3)c3cncc(OC4CCC4)n23)C1.CC#CC(=O)N1CC[C@@H](c2nc(-c3ccc(Oc4cccc(OC)c4F)cc3)c3cncc(OC4CCOC4)n23)C1.CCCCOc1cncc2c(-c3ccc(Oc4cccc(OC)c4F)cc3)nc([C@@H]3CCN(C(=O)c4ccccc4)C3)n12.

What is the InChIKey of [(3R)-3-[5-butoxy-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-phenylmethanone;1-[(3R)-3-[5-cyclobutyloxy-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(3R)-3-[5-cyclobutyloxy-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-(oxolan-3-yloxy)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one?

The InChIKey is RINFVXYYSNOYQQ-DJGBYPSCSA-N. The full InChI is InChI=1S/C34H33FN4O4.C31H29FN4O5.C31H29FN4O4.C30H29FN4O4/c1-3-4-19-42-30-21-36-20-27-32(23-13-15-26(16-14-23)43-29-12-8-11-28(41-2)31(29)35)37-33(39(27)30)25-17-18-38(22-25)34(40)24-9-6-5-7-10-24;1-3-5-27(37)35-14-12-21(18-35)31-34-30(24-16-33-17-28(36(24)31)41-23-13-15-39-19-23)20-8-10-22(11-9-20)40-26-7-4-6-25(38-2)29(26)32;1-3-6-27(37)35-16-15-21(19-35)31-34-30(24-17-33-18-28(36(24)31)40-22-7-4-8-22)20-11-13-23(14-12-20)39-26-10-5-9-25(38-2)29(26)32;1-3-26(36)34-15-14-20(18-34)30-33-29(23-16-32-17-27(35(23)30)39-21-6-4-7-21)19-10-12-22(13-11-19)38-25-9-5-8-24(37-2)28(25)31/h5-16,20-21,25H,3-4,17-19,22H2,1-2H3;4,6-11,16-17,21,23H,12-15,18-19H2,1-2H3;5,9-14,17-18,21-22H,4,7-8,15-16,19H2,1-2H3;3,5,8-13,16-17,20-21H,1,4,6-7,14-15,18H2,2H3/t25-;21-,23?;21-;20-/m1111/s1.

What are the key properties of [(3R)-3-[5-butoxy-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-phenylmethanone;1-[(3R)-3-[5-cyclobutyloxy-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(3R)-3-[5-cyclobutyloxy-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-(oxolan-3-yloxy)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one?

[(3R)-3-[5-butoxy-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-phenylmethanone;1-[(3R)-3-[5-cyclobutyloxy-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(3R)-3-[5-cyclobutyloxy-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-(oxolan-3-yloxy)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one has a molecular weight of 2206.43 g/mol, XLogP of 23.36, 32 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-3-[5-butoxy-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]-phenylmethanone;1-[(3R)-3-[5-cyclobutyloxy-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(3R)-3-[5-cyclobutyloxy-1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-(oxolan-3-yloxy)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one is sourced from PubChem (CID 160635813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).