N-[4-[8-amino-1-[4-[3-(5-fluoro-2-methylphenyl)-3-oxopropyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-3-methyloxetane-3-carboxamide;N-[4-[8-amino-1-[4-[3-(5-fluoro-2-methylphenyl)-3-oxopropyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-2-piperidin-1-ylacetamide

C70H77F2N11O5 — CID 164965946

IUPACN-[4-[8-amino-1-[4-[3-(5-fluoro-2-methylphenyl)-3-oxopropyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-3-methyloxetane-3-carboxamide;N-[4-[8-amino-1-[4-[3-(5-fluoro-2-methylphenyl)-3-oxopropyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-2-piperidin-1-ylacetamide
SMILESCc1ccc(F)cc1C(=O)CCc1ccc(-c2nc(C34CCC(NC(=O)C5(C)COC5)(CC3)C4)n3ccnc(N)c23)cc1.Cc1ccc(F)cc1C(=O)CCc1ccc(-c2nc(C34CCC(NC(=O)CN5CCCCC5)(CC3)C4)n3ccnc(N)c23)cc1
InChIInChI=1S/C36H41FN6O2.C34H36FN5O3/c1-24-5-11-27(37)21-28(24)29(44)12-8-25-6-9-26(10-7-25)31-32-33(38)39-17-20-43(32)34(40-31)35-13-15-36(23-35,16-14-35)41-30(45)22-42-18-3-2-4-19-42;1-21-3-9-24(35)17-25(21)26(41)10-6-22-4-7-23(8-5-22)27-28-29(36)37-15-16-40(28)30(38-27)33-11-13-34(18-33,14-12-33)39-31(42)32(2)19-43-20-32/h5-7,9-11,17,20-21H,2-4,8,12-16,18-19,22-23H2,1H3,(H2,38,39)(H,41,45);3-5,7-9,15-17H,6,10-14,18-20H2,1-2H3,(H2,36,37)(H,39,42)
InChIKeyCMDMOPYNDZPNMY-UHFFFAOYSA-N
MW1190.45 g/mol
LogP11.15
Rot. Bonds17

About N-[4-[8-amino-1-[4-[3-(5-fluoro-2-methylphenyl)-3-oxopropyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-3-methyloxetane-3-carboxamide;N-[4-[8-amino-1-[4-[3-(5-fluoro-2-methylphenyl)-3-oxopropyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-2-piperidin-1-ylacetamide

N-[4-[8-amino-1-[4-[3-(5-fluoro-2-methylphenyl)-3-oxopropyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-3-methyloxetane-3-carboxamide;N-[4-[8-amino-1-[4-[3-(5-fluoro-2-methylphenyl)-3-oxopropyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-2-piperidin-1-ylacetamide (PubChem CID 164965946) has the molecular formula C70H77F2N11O5 and a molecular weight of 1190.45 g/mol. Its IUPAC name is N-[4-[8-amino-1-[4-[3-(5-fluoro-2-methylphenyl)-3-oxopropyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-3-methyloxetane-3-carboxamide;N-[4-[8-amino-1-[4-[3-(5-fluoro-2-methylphenyl)-3-oxopropyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[4-[8-amino-1-[4-[3-(5-fluoro-2-methylphenyl)-3-oxopropyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-3-methyloxetane-3-carboxamide;N-[4-[8-amino-1-[4-[3-(5-fluoro-2-methylphenyl)-3-oxopropyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-2-piperidin-1-ylacetamide
PubChem CID164965946
Molecular FormulaC70H77F2N11O5
Molecular Weight1190.45 g/mol
Exact Mass1189.61
IUPAC NameN-[4-[8-amino-1-[4-[3-(5-fluoro-2-methylphenyl)-3-oxopropyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-3-methyloxetane-3-carboxamide;N-[4-[8-amino-1-[4-[3-(5-fluoro-2-methylphenyl)-3-oxopropyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-2-piperidin-1-ylacetamide
SMILESCc1ccc(F)cc1C(=O)CCc1ccc(-c2nc(C34CCC(NC(=O)C5(C)COC5)(CC3)C4)n3ccnc(N)c23)cc1.Cc1ccc(F)cc1C(=O)CCc1ccc(-c2nc(C34CCC(NC(=O)CN5CCCCC5)(CC3)C4)n3ccnc(N)c23)cc1
InChIInChI=1S/C36H41FN6O2.C34H36FN5O3/c1-24-5-11-27(37)21-28(24)29(44)12-8-25-6-9-26(10-7-25)31-32-33(38)39-17-20-43(32)34(40-31)35-13-15-36(23-35,16-14-35)41-30(45)22-42-18-3-2-4-19-42;1-21-3-9-24(35)17-25(21)26(41)10-6-22-4-7-23(8-5-22)27-28-29(36)37-15-16-40(28)30(38-27)33-11-13-34(18-33,14-12-33)39-31(42)32(2)19-43-20-32/h5-7,9-11,17,20-21H,2-4,8,12-16,18-19,22-23H2,1H3,(H2,38,39)(H,41,45);3-5,7-9,15-17H,6,10-14,18-20H2,1-2H3,(H2,36,37)(H,39,42)
InChIKeyCMDMOPYNDZPNMY-UHFFFAOYSA-N
XLogP11.15
TPSA217.23 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001190.45
LogP ≤ 511.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze N-[4-[8-amino-1-[4-[3-(5-fluoro-2-methylphenyl)-3-oxopropyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-3-methyloxetane-3-carboxamide;N-[4-[8-amino-1-[4-[3-(5-fluoro-2-methylphenyl)-3-oxopropyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-2-piperidin-1-ylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[8-amino-1-[4-[3-(5-fluoro-2-methylphenyl)-3-oxopropyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-3-methyloxetane-3-carboxamide;N-[4-[8-amino-1-[4-[3-(5-fluoro-2-methylphenyl)-3-oxopropyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[4-[8-amino-1-[4-[3-(5-fluoro-2-methylphenyl)-3-oxopropyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-3-methyloxetane-3-carboxamide;N-[4-[8-amino-1-[4-[3-(5-fluoro-2-methylphenyl)-3-oxopropyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-2-piperidin-1-ylacetamide (CID 164965946) is N-[4-[8-amino-1-[4-[3-(5-fluoro-2-methylphenyl)-3-oxopropyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-3-methyloxetane-3-carboxamide;N-[4-[8-amino-1-[4-[3-(5-fluoro-2-methylphenyl)-3-oxopropyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[4-[8-amino-1-[4-[3-(5-fluoro-2-methylphenyl)-3-oxopropyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-3-methyloxetane-3-carboxamide;N-[4-[8-amino-1-[4-[3-(5-fluoro-2-methylphenyl)-3-oxopropyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[4-[8-amino-1-[4-[3-(5-fluoro-2-methylphenyl)-3-oxopropyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-3-methyloxetane-3-carboxamide;N-[4-[8-amino-1-[4-[3-(5-fluoro-2-methylphenyl)-3-oxopropyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-2-piperidin-1-ylacetamide is Cc1ccc(F)cc1C(=O)CCc1ccc(-c2nc(C34CCC(NC(=O)C5(C)COC5)(CC3)C4)n3ccnc(N)c23)cc1.Cc1ccc(F)cc1C(=O)CCc1ccc(-c2nc(C34CCC(NC(=O)CN5CCCCC5)(CC3)C4)n3ccnc(N)c23)cc1.
What is the InChIKey of N-[4-[8-amino-1-[4-[3-(5-fluoro-2-methylphenyl)-3-oxopropyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-3-methyloxetane-3-carboxamide;N-[4-[8-amino-1-[4-[3-(5-fluoro-2-methylphenyl)-3-oxopropyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-2-piperidin-1-ylacetamide?
The InChIKey is CMDMOPYNDZPNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H41FN6O2.C34H36FN5O3/c1-24-5-11-27(37)21-28(24)29(44)12-8-25-6-9-26(10-7-25)31-32-33(38)39-17-20-43(32)34(40-31)35-13-15-36(23-35,16-14-35)41-30(45)22-42-18-3-2-4-19-42;1-21-3-9-24(35)17-25(21)26(41)10-6-22-4-7-23(8-5-22)27-28-29(36)37-15-16-40(28)30(38-27)33-11-13-34(18-33,14-12-33)39-31(42)32(2)19-43-20-32/h5-7,9-11,17,20-21H,2-4,8,12-16,18-19,22-23H2,1H3,(H2,38,39)(H,41,45);3-5,7-9,15-17H,6,10-14,18-20H2,1-2H3,(H2,36,37)(H,39,42).
What are the key properties of N-[4-[8-amino-1-[4-[3-(5-fluoro-2-methylphenyl)-3-oxopropyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-3-methyloxetane-3-carboxamide;N-[4-[8-amino-1-[4-[3-(5-fluoro-2-methylphenyl)-3-oxopropyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-2-piperidin-1-ylacetamide?
N-[4-[8-amino-1-[4-[3-(5-fluoro-2-methylphenyl)-3-oxopropyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-3-methyloxetane-3-carboxamide;N-[4-[8-amino-1-[4-[3-(5-fluoro-2-methylphenyl)-3-oxopropyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-2-piperidin-1-ylacetamide has a molecular weight of 1190.45 g/mol, XLogP of 11.15, 17 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[8-amino-1-[4-[3-(5-fluoro-2-methylphenyl)-3-oxopropyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-3-methyloxetane-3-carboxamide;N-[4-[8-amino-1-[4-[3-(5-fluoro-2-methylphenyl)-3-oxopropyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-bicyclo[2.2.1]heptanyl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 164965946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).