1-[(1R,4S)-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[2.2.1]heptan-2-yl]but-2-yn-1-one;1-[(4S)-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one;1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[3.1.0]hexan-2-yl]prop-2-en-1-one

C81H73N15O6 — CID 157137333

IUPAC1-[(1R,4S)-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[2.2.1]heptan-2-yl]but-2-yn-1-one;1-[(4S)-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one;1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[3.1.0]hexan-2-yl]prop-2-en-1-one
SMILESC=CC(=O)N1C(c2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccn23)CC2CC21.C=CC(=O)N1C2CC[C@@H](C2)C1c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12.CC#CC(=O)N1C(c2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccn23)[C@H]2CC[C@@H]1C2
InChIInChI=1S/C28H25N5O2.C27H25N5O2.C26H23N5O2/c1-2-6-23(34)33-20-12-9-19(17-20)25(33)28-31-24(26-27(29)30-15-16-32(26)28)18-10-13-22(14-11-18)35-21-7-4-3-5-8-21;1-2-22(33)32-19-11-8-18(16-19)24(32)27-30-23(25-26(28)29-14-15-31(25)27)17-9-12-21(13-10-17)34-20-6-4-3-5-7-20;1-2-22(32)31-20-14-17(20)15-21(31)26-29-23(24-25(27)28-12-13-30(24)26)16-8-10-19(11-9-16)33-18-6-4-3-5-7-18/h3-5,7-8,10-11,13-16,19-20,25H,9,12,17H2,1H3,(H2,29,30);2-7,9-10,12-15,18-19,24H,1,8,11,16H2,(H2,28,29);2-13,17,20-21H,1,14-15H2,(H2,27,28)/t19-,20+,25?;18-,19?,24?;/m00./s1
InChIKeyAJTSQIRNFKYOSJ-IQGKZSABSA-N
MW1352.57 g/mol
LogP14.47
Rot. Bonds14

About 1-[(1R,4S)-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[2.2.1]heptan-2-yl]but-2-yn-1-one;1-[(4S)-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one;1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[3.1.0]hexan-2-yl]prop-2-en-1-one

1-[(1R,4S)-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[2.2.1]heptan-2-yl]but-2-yn-1-one;1-[(4S)-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one;1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[3.1.0]hexan-2-yl]prop-2-en-1-one (PubChem CID 157137333) has the molecular formula C81H73N15O6 and a molecular weight of 1352.57 g/mol. Its IUPAC name is 1-[(1R,4S)-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[2.2.1]heptan-2-yl]but-2-yn-1-one;1-[(4S)-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one;1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[3.1.0]hexan-2-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[(1R,4S)-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[2.2.1]heptan-2-yl]but-2-yn-1-one;1-[(4S)-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one;1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[3.1.0]hexan-2-yl]prop-2-en-1-one
PubChem CID157137333
Molecular FormulaC81H73N15O6
Molecular Weight1352.57 g/mol
Exact Mass1351.59
IUPAC Name1-[(1R,4S)-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[2.2.1]heptan-2-yl]but-2-yn-1-one;1-[(4S)-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one;1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[3.1.0]hexan-2-yl]prop-2-en-1-one
SMILESC=CC(=O)N1C(c2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccn23)CC2CC21.C=CC(=O)N1C2CC[C@@H](C2)C1c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12.CC#CC(=O)N1C(c2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccn23)[C@H]2CC[C@@H]1C2
InChIInChI=1S/C28H25N5O2.C27H25N5O2.C26H23N5O2/c1-2-6-23(34)33-20-12-9-19(17-20)25(33)28-31-24(26-27(29)30-15-16-32(26)28)18-10-13-22(14-11-18)35-21-7-4-3-5-8-21;1-2-22(33)32-19-11-8-18(16-19)24(32)27-30-23(25-26(28)29-14-15-31(25)27)17-9-12-21(13-10-17)34-20-6-4-3-5-7-20;1-2-22(32)31-20-14-17(20)15-21(31)26-29-23(24-25(27)28-12-13-30(24)26)16-8-10-19(11-9-16)33-18-6-4-3-5-7-18/h3-5,7-8,10-11,13-16,19-20,25H,9,12,17H2,1H3,(H2,29,30);2-7,9-10,12-15,18-19,24H,1,8,11,16H2,(H2,28,29);2-13,17,20-21H,1,14-15H2,(H2,27,28)/t19-,20+,25?;18-,19?,24?;/m00./s1
InChIKeyAJTSQIRNFKYOSJ-IQGKZSABSA-N
XLogP14.47
TPSA257.25 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001352.57
LogP ≤ 514.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 1-[(1R,4S)-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[2.2.1]heptan-2-yl]but-2-yn-1-one;1-[(4S)-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one;1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[3.1.0]hexan-2-yl]prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-2-[(3R)-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carbonyl]-4-[(8aS)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-4-methylpent-2-enenitrile
CID 124160862
(Z)-2-[(3R)-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carbonyl]-4-[(8aR)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-4-methylpent-2-enenitrile
CID 124160884
US10793576, Example 103
CID 135254904
US10793576, Example 93
CID 139581760
US10793576, Example 102
CID 146176995
US10793576, Example 101
CID 146176996
US10793576, Example 99
CID 146177024
US10793576, Example 111
CID 146177025
US10793576, Example 107
CID 146177076
US10793576, Example 110
CID 146177116
US10793576, Example 98
CID 146177148
US10793576, Example 106
CID 146177155

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,4S)-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[2.2.1]heptan-2-yl]but-2-yn-1-one;1-[(4S)-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one;1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[3.1.0]hexan-2-yl]prop-2-en-1-one?
The IUPAC name of 1-[(1R,4S)-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[2.2.1]heptan-2-yl]but-2-yn-1-one;1-[(4S)-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one;1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[3.1.0]hexan-2-yl]prop-2-en-1-one (CID 157137333) is 1-[(1R,4S)-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[2.2.1]heptan-2-yl]but-2-yn-1-one;1-[(4S)-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one;1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[3.1.0]hexan-2-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[(1R,4S)-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[2.2.1]heptan-2-yl]but-2-yn-1-one;1-[(4S)-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one;1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[3.1.0]hexan-2-yl]prop-2-en-1-one?
The canonical SMILES for 1-[(1R,4S)-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[2.2.1]heptan-2-yl]but-2-yn-1-one;1-[(4S)-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one;1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[3.1.0]hexan-2-yl]prop-2-en-1-one is C=CC(=O)N1C(c2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccn23)CC2CC21.C=CC(=O)N1C2CC[C@@H](C2)C1c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12.CC#CC(=O)N1C(c2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccn23)[C@H]2CC[C@@H]1C2.
What is the InChIKey of 1-[(1R,4S)-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[2.2.1]heptan-2-yl]but-2-yn-1-one;1-[(4S)-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one;1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[3.1.0]hexan-2-yl]prop-2-en-1-one?
The InChIKey is AJTSQIRNFKYOSJ-IQGKZSABSA-N. The full InChI is InChI=1S/C28H25N5O2.C27H25N5O2.C26H23N5O2/c1-2-6-23(34)33-20-12-9-19(17-20)25(33)28-31-24(26-27(29)30-15-16-32(26)28)18-10-13-22(14-11-18)35-21-7-4-3-5-8-21;1-2-22(33)32-19-11-8-18(16-19)24(32)27-30-23(25-26(28)29-14-15-31(25)27)17-9-12-21(13-10-17)34-20-6-4-3-5-7-20;1-2-22(32)31-20-14-17(20)15-21(31)26-29-23(24-25(27)28-12-13-30(24)26)16-8-10-19(11-9-16)33-18-6-4-3-5-7-18/h3-5,7-8,10-11,13-16,19-20,25H,9,12,17H2,1H3,(H2,29,30);2-7,9-10,12-15,18-19,24H,1,8,11,16H2,(H2,28,29);2-13,17,20-21H,1,14-15H2,(H2,27,28)/t19-,20+,25?;18-,19?,24?;/m00./s1.
What are the key properties of 1-[(1R,4S)-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[2.2.1]heptan-2-yl]but-2-yn-1-one;1-[(4S)-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one;1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[3.1.0]hexan-2-yl]prop-2-en-1-one?
1-[(1R,4S)-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[2.2.1]heptan-2-yl]but-2-yn-1-one;1-[(4S)-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one;1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[3.1.0]hexan-2-yl]prop-2-en-1-one has a molecular weight of 1352.57 g/mol, XLogP of 14.47, 14 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,4S)-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[2.2.1]heptan-2-yl]but-2-yn-1-one;1-[(4S)-3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one;1-[3-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-2-azabicyclo[3.1.0]hexan-2-yl]prop-2-en-1-one is sourced from PubChem (CID 157137333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).