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

C124H134F4N16O17 — CID 157201070

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

1-[(3R)-3-[5-butoxy-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-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-(oxolan-3-yloxy)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-propoxyimidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-propoxyimidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;methane (PubChem CID 157201070) has the molecular formula C124H134F4N16O17 and a molecular weight of 2196.52 g/mol. Its IUPAC name is 1-[(3R)-3-[5-butoxy-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-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-(oxolan-3-yloxy)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-propoxyimidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-propoxyimidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;methane.

Molecular Properties

• Compound Name: 1-[(3R)-3-[5-butoxy-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-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-(oxolan-3-yloxy)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-propoxyimidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-propoxyimidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;methane
• PubChem CID: 157201070
• Molecular Formula: C124H134F4N16O17
• Molecular Weight: 2196.52 g/mol
• Exact Mass: 2195.00
• IUPAC Name: 1-[(3R)-3-[5-butoxy-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-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-(oxolan-3-yloxy)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-propoxyimidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-propoxyimidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;methane
• SMILES: C.C.C.C.C=CC(=O)N1CC[C@@H](c2nc(-c3ccc(Oc4cccc(OC)c4F)cc3)c3cncc(OC4CCOC4)n23)C1.C=CC(=O)N1CC[C@@H](c2nc(-c3ccc(Oc4cccc(OC)c4F)cc3)c3cncc(OCCC)n23)C1.CC#CC(=O)N1CC[C@@H](c2nc(-c3ccc(Oc4cccc(OC)c4F)cc3)c3cncc(OCCC)n23)C1.CC#CC(=O)N1CC[C@@H](c2nc(-c3ccc(Oc4cccc(OC)c4F)cc3)c3cncc(OCCCC)n23)C1
• InChI: InChI=1S/C31H31FN4O4.C30H29FN4O5.C30H29FN4O4.C29H29FN4O4.4CH4/c1-4-6-17-39-28-19-33-18-24-30(34-31(36(24)28)22-15-16-35(20-22)27(37)8-5-2)21-11-13-23(14-12-21)40-26-10-7-9-25(38-3)29(26)32;1-3-26(36)34-13-11-20(17-34)30-33-29(23-15-32-16-27(35(23)30)40-22-12-14-38-18-22)19-7-9-21(10-8-19)39-25-6-4-5-24(37-2)28(25)31;1-4-7-26(36)34-15-14-21(19-34)30-33-29(23-17-32-18-27(35(23)30)38-16-5-2)20-10-12-22(13-11-20)39-25-9-6-8-24(37-3)28(25)31;1-4-15-37-26-17-31-16-22-28(32-29(34(22)26)20-13-14-33(18-20)25(35)5-2)19-9-11-21(12-10-19)38-24-8-6-7-23(36-3)27(24)30;;;;/h7,9-14,18-19,22H,4,6,15-17,20H2,1-3H3;3-10,15-16,20,22H,1,11-14,17-18H2,2H3;6,8-13,17-18,21H,5,14-16,19H2,1-3H3;5-12,16-17,20H,2,4,13-15,18H2,1,3H3;4*1H4/t22-;20-,22?;21-;20-;;;;/m1111..../s1
• InChIKey: AQUNEHPLZRRTOB-XDYPXQAHSA-N
• XLogP: 24.50
• TPSA: 321.99 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 34
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2196.52
LogP ≤ 5	24.50
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 1-[(3R)-3-[5-butoxy-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-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-(oxolan-3-yloxy)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-propoxyimidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-propoxyimidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;methane?

The IUPAC name of 1-[(3R)-3-[5-butoxy-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-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-(oxolan-3-yloxy)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-propoxyimidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-propoxyimidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;methane (CID 157201070) is 1-[(3R)-3-[5-butoxy-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-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-(oxolan-3-yloxy)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-propoxyimidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-propoxyimidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;methane.

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

The canonical SMILES for 1-[(3R)-3-[5-butoxy-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-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-(oxolan-3-yloxy)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-propoxyimidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-propoxyimidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;methane is C.C.C.C.C=CC(=O)N1CC[C@@H](c2nc(-c3ccc(Oc4cccc(OC)c4F)cc3)c3cncc(OC4CCOC4)n23)C1.C=CC(=O)N1CC[C@@H](c2nc(-c3ccc(Oc4cccc(OC)c4F)cc3)c3cncc(OCCC)n23)C1.CC#CC(=O)N1CC[C@@H](c2nc(-c3ccc(Oc4cccc(OC)c4F)cc3)c3cncc(OCCC)n23)C1.CC#CC(=O)N1CC[C@@H](c2nc(-c3ccc(Oc4cccc(OC)c4F)cc3)c3cncc(OCCCC)n23)C1.

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

The InChIKey is AQUNEHPLZRRTOB-XDYPXQAHSA-N. The full InChI is InChI=1S/C31H31FN4O4.C30H29FN4O5.C30H29FN4O4.C29H29FN4O4.4CH4/c1-4-6-17-39-28-19-33-18-24-30(34-31(36(24)28)22-15-16-35(20-22)27(37)8-5-2)21-11-13-23(14-12-21)40-26-10-7-9-25(38-3)29(26)32;1-3-26(36)34-13-11-20(17-34)30-33-29(23-15-32-16-27(35(23)30)40-22-12-14-38-18-22)19-7-9-21(10-8-19)39-25-6-4-5-24(37-2)28(25)31;1-4-7-26(36)34-15-14-21(19-34)30-33-29(23-17-32-18-27(35(23)30)38-16-5-2)20-10-12-22(13-11-20)39-25-9-6-8-24(37-3)28(25)31;1-4-15-37-26-17-31-16-22-28(32-29(34(22)26)20-13-14-33(18-20)25(35)5-2)19-9-11-21(12-10-19)38-24-8-6-7-23(36-3)27(24)30;;;;/h7,9-14,18-19,22H,4,6,15-17,20H2,1-3H3;3-10,15-16,20,22H,1,11-14,17-18H2,2H3;6,8-13,17-18,21H,5,14-16,19H2,1-3H3;5-12,16-17,20H,2,4,13-15,18H2,1,3H3;4*1H4/t22-;20-,22?;21-;20-;;;;/m1111..../s1.

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

1-[(3R)-3-[5-butoxy-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-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-(oxolan-3-yloxy)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-propoxyimidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-propoxyimidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;methane has a molecular weight of 2196.52 g/mol, XLogP of 24.50, 34 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-3-[5-butoxy-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-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-(oxolan-3-yloxy)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-propoxyimidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;1-[(3R)-3-[1-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-5-propoxyimidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;methane is sourced from PubChem (CID 157201070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).