1-[3-[8-amino-1-(4-anilino-3-methylphenyl)imidazo[1,5-a]pyrazin-3-yl]imidazolidin-1-yl]prop-2-en-1-one;1-[3-[8-amino-1-(4-anilinophenyl)imidazo[1,5-a]pyrazin-3-yl]imidazolidin-1-yl]prop-2-en-1-one;1-[3-[8-amino-1-[3-methyl-4-(pyridin-2-ylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]imidazolidin-1-yl]prop-2-en-1-one

C73H72N22O3 — CID 161105236

About 1-[3-[8-amino-1-(4-anilino-3-methylphenyl)imidazo[1,5-a]pyrazin-3-yl]imidazolidin-1-yl]prop-2-en-1-one;1-[3-[8-amino-1-(4-anilinophenyl)imidazo[1,5-a]pyrazin-3-yl]imidazolidin-1-yl]prop-2-en-1-one;1-[3-[8-amino-1-[3-methyl-4-(pyridin-2-ylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]imidazolidin-1-yl]prop-2-en-1-one

1-[3-[8-amino-1-(4-anilino-3-methylphenyl)imidazo[1,5-a]pyrazin-3-yl]imidazolidin-1-yl]prop-2-en-1-one;1-[3-[8-amino-1-(4-anilinophenyl)imidazo[1,5-a]pyrazin-3-yl]imidazolidin-1-yl]prop-2-en-1-one;1-[3-[8-amino-1-[3-methyl-4-(pyridin-2-ylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]imidazolidin-1-yl]prop-2-en-1-one (PubChem CID 161105236) has the molecular formula C73H72N22O3 and a molecular weight of 1305.53 g/mol. Its IUPAC name is 1-[3-[8-amino-1-(4-anilino-3-methylphenyl)imidazo[1,5-a]pyrazin-3-yl]imidazolidin-1-yl]prop-2-en-1-one;1-[3-[8-amino-1-(4-anilinophenyl)imidazo[1,5-a]pyrazin-3-yl]imidazolidin-1-yl]prop-2-en-1-one;1-[3-[8-amino-1-[3-methyl-4-(pyridin-2-ylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]imidazolidin-1-yl]prop-2-en-1-one.

Molecular Properties

• Compound Name: 1-[3-[8-amino-1-(4-anilino-3-methylphenyl)imidazo[1,5-a]pyrazin-3-yl]imidazolidin-1-yl]prop-2-en-1-one;1-[3-[8-amino-1-(4-anilinophenyl)imidazo[1,5-a]pyrazin-3-yl]imidazolidin-1-yl]prop-2-en-1-one;1-[3-[8-amino-1-[3-methyl-4-(pyridin-2-ylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]imidazolidin-1-yl]prop-2-en-1-one
• PubChem CID: 161105236
• Molecular Formula: C73H72N22O3
• Molecular Weight: 1305.53 g/mol
• Exact Mass: 1304.62
• IUPAC Name: 1-[3-[8-amino-1-(4-anilino-3-methylphenyl)imidazo[1,5-a]pyrazin-3-yl]imidazolidin-1-yl]prop-2-en-1-one;1-[3-[8-amino-1-(4-anilinophenyl)imidazo[1,5-a]pyrazin-3-yl]imidazolidin-1-yl]prop-2-en-1-one;1-[3-[8-amino-1-[3-methyl-4-(pyridin-2-ylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]imidazolidin-1-yl]prop-2-en-1-one
• SMILES: C=CC(=O)N1CCN(c2nc(-c3ccc(Nc4ccccc4)c(C)c3)c3c(N)nccn23)C1.C=CC(=O)N1CCN(c2nc(-c3ccc(Nc4ccccc4)cc3)c3c(N)nccn23)C1.C=CC(=O)N1CCN(c2nc(-c3ccc(Nc4ccccn4)c(C)c3)c3c(N)nccn23)C1
• InChI: InChI=1S/C25H25N7O.C24H24N8O.C24H23N7O/c1-3-21(33)30-13-14-31(16-30)25-29-22(23-24(26)27-11-12-32(23)25)18-9-10-20(17(2)15-18)28-19-7-5-4-6-8-19;1-3-20(33)30-12-13-31(15-30)24-29-21(22-23(25)27-10-11-32(22)24)17-7-8-18(16(2)14-17)28-19-6-4-5-9-26-19;1-2-20(32)29-14-15-30(16-29)24-28-21(22-23(25)26-12-13-31(22)24)17-8-10-19(11-9-17)27-18-6-4-3-5-7-18/h3-12,15,28H,1,13-14,16H2,2H3,(H2,26,27);3-11,14H,1,12-13,15H2,2H3,(H2,25,27)(H,26,28);2-13,27H,1,14-16H2,(H2,25,26)
• InChIKey: UIYTWEFWUQYCQK-UHFFFAOYSA-N
• XLogP: 10.55
• TPSA: 288.26 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 15
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1305.53
LogP ≤ 5	10.55
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-[8-amino-1-(4-anilino-3-methylphenyl)imidazo[1,5-a]pyrazin-3-yl]imidazolidin-1-yl]prop-2-en-1-one;1-[3-[8-amino-1-(4-anilinophenyl)imidazo[1,5-a]pyrazin-3-yl]imidazolidin-1-yl]prop-2-en-1-one;1-[3-[8-amino-1-[3-methyl-4-(pyridin-2-ylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]imidazolidin-1-yl]prop-2-en-1-one?

The IUPAC name of 1-[3-[8-amino-1-(4-anilino-3-methylphenyl)imidazo[1,5-a]pyrazin-3-yl]imidazolidin-1-yl]prop-2-en-1-one;1-[3-[8-amino-1-(4-anilinophenyl)imidazo[1,5-a]pyrazin-3-yl]imidazolidin-1-yl]prop-2-en-1-one;1-[3-[8-amino-1-[3-methyl-4-(pyridin-2-ylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]imidazolidin-1-yl]prop-2-en-1-one (CID 161105236) is 1-[3-[8-amino-1-(4-anilino-3-methylphenyl)imidazo[1,5-a]pyrazin-3-yl]imidazolidin-1-yl]prop-2-en-1-one;1-[3-[8-amino-1-(4-anilinophenyl)imidazo[1,5-a]pyrazin-3-yl]imidazolidin-1-yl]prop-2-en-1-one;1-[3-[8-amino-1-[3-methyl-4-(pyridin-2-ylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]imidazolidin-1-yl]prop-2-en-1-one.

What is the SMILES notation for 1-[3-[8-amino-1-(4-anilino-3-methylphenyl)imidazo[1,5-a]pyrazin-3-yl]imidazolidin-1-yl]prop-2-en-1-one;1-[3-[8-amino-1-(4-anilinophenyl)imidazo[1,5-a]pyrazin-3-yl]imidazolidin-1-yl]prop-2-en-1-one;1-[3-[8-amino-1-[3-methyl-4-(pyridin-2-ylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]imidazolidin-1-yl]prop-2-en-1-one?

The canonical SMILES for 1-[3-[8-amino-1-(4-anilino-3-methylphenyl)imidazo[1,5-a]pyrazin-3-yl]imidazolidin-1-yl]prop-2-en-1-one;1-[3-[8-amino-1-(4-anilinophenyl)imidazo[1,5-a]pyrazin-3-yl]imidazolidin-1-yl]prop-2-en-1-one;1-[3-[8-amino-1-[3-methyl-4-(pyridin-2-ylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]imidazolidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCN(c2nc(-c3ccc(Nc4ccccc4)c(C)c3)c3c(N)nccn23)C1.C=CC(=O)N1CCN(c2nc(-c3ccc(Nc4ccccc4)cc3)c3c(N)nccn23)C1.C=CC(=O)N1CCN(c2nc(-c3ccc(Nc4ccccn4)c(C)c3)c3c(N)nccn23)C1.

What is the InChIKey of 1-[3-[8-amino-1-(4-anilino-3-methylphenyl)imidazo[1,5-a]pyrazin-3-yl]imidazolidin-1-yl]prop-2-en-1-one;1-[3-[8-amino-1-(4-anilinophenyl)imidazo[1,5-a]pyrazin-3-yl]imidazolidin-1-yl]prop-2-en-1-one;1-[3-[8-amino-1-[3-methyl-4-(pyridin-2-ylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]imidazolidin-1-yl]prop-2-en-1-one?

The InChIKey is UIYTWEFWUQYCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O.C24H24N8O.C24H23N7O/c1-3-21(33)30-13-14-31(16-30)25-29-22(23-24(26)27-11-12-32(23)25)18-9-10-20(17(2)15-18)28-19-7-5-4-6-8-19;1-3-20(33)30-12-13-31(15-30)24-29-21(22-23(25)27-10-11-32(22)24)17-7-8-18(16(2)14-17)28-19-6-4-5-9-26-19;1-2-20(32)29-14-15-30(16-29)24-28-21(22-23(25)26-12-13-31(22)24)17-8-10-19(11-9-17)27-18-6-4-3-5-7-18/h3-12,15,28H,1,13-14,16H2,2H3,(H2,26,27);3-11,14H,1,12-13,15H2,2H3,(H2,25,27)(H,26,28);2-13,27H,1,14-16H2,(H2,25,26).

What are the key properties of 1-[3-[8-amino-1-(4-anilino-3-methylphenyl)imidazo[1,5-a]pyrazin-3-yl]imidazolidin-1-yl]prop-2-en-1-one;1-[3-[8-amino-1-(4-anilinophenyl)imidazo[1,5-a]pyrazin-3-yl]imidazolidin-1-yl]prop-2-en-1-one;1-[3-[8-amino-1-[3-methyl-4-(pyridin-2-ylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]imidazolidin-1-yl]prop-2-en-1-one?

1-[3-[8-amino-1-(4-anilino-3-methylphenyl)imidazo[1,5-a]pyrazin-3-yl]imidazolidin-1-yl]prop-2-en-1-one;1-[3-[8-amino-1-(4-anilinophenyl)imidazo[1,5-a]pyrazin-3-yl]imidazolidin-1-yl]prop-2-en-1-one;1-[3-[8-amino-1-[3-methyl-4-(pyridin-2-ylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]imidazolidin-1-yl]prop-2-en-1-one has a molecular weight of 1305.53 g/mol, XLogP of 10.55, 15 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[8-amino-1-(4-anilino-3-methylphenyl)imidazo[1,5-a]pyrazin-3-yl]imidazolidin-1-yl]prop-2-en-1-one;1-[3-[8-amino-1-(4-anilinophenyl)imidazo[1,5-a]pyrazin-3-yl]imidazolidin-1-yl]prop-2-en-1-one;1-[3-[8-amino-1-[3-methyl-4-(pyridin-2-ylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]imidazolidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 161105236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).