4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-oxo-1,6-dihydropyrrolo[2,3-c]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;1-[4-[8-amino-1-(7-pyridin-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]propan-1-one

C68H68N18O6 — CID 158827443

About 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-oxo-1,6-dihydropyrrolo[2,3-c]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;1-[4-[8-amino-1-(7-pyridin-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]propan-1-one

4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-oxo-1,6-dihydropyrrolo[2,3-c]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;1-[4-[8-amino-1-(7-pyridin-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]propan-1-one (PubChem CID 158827443) has the molecular formula C68H68N18O6 and a molecular weight of 1233.41 g/mol. Its IUPAC name is 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-oxo-1,6-dihydropyrrolo[2,3-c]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;1-[4-[8-amino-1-(7-pyridin-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-oxo-1,6-dihydropyrrolo[2,3-c]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;1-[4-[8-amino-1-(7-pyridin-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]propan-1-one
• PubChem CID: 158827443
• Molecular Formula: C68H68N18O6
• Molecular Weight: 1233.41 g/mol
• Exact Mass: 1232.56
• IUPAC Name: 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-oxo-1,6-dihydropyrrolo[2,3-c]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;1-[4-[8-amino-1-(7-pyridin-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]propan-1-one
• SMILES: CCC(=O)N1CCC(c2nc(-c3cc4cccc(-c5ccccn5)c4[nH]3)c3c(N)nccn23)CC1.Nc1nccn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cc[nH]c(=O)c4[nH]3)c12.Nc1nccn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4ccccc4[nH]3)c12
• InChI: InChI=1S/C27H27N7O.C21H21N5O2.C20H20N6O3/c1-2-22(35)33-13-9-17(10-14-33)27-32-24(25-26(28)30-12-15-34(25)27)21-16-18-6-5-7-19(23(18)31-21)20-8-3-4-11-29-20;22-19-18-17(16-11-14-3-1-2-4-15(14)24-16)25-20(26(18)10-9-23-19)12-5-7-13(8-6-12)21(27)28;21-17-16-15(13-9-12-5-6-23-19(27)14(12)24-13)25-18(26(16)8-7-22-17)10-1-3-11(4-2-10)20(28)29/h3-8,11-12,15-17,31H,2,9-10,13-14H2,1H3,(H2,28,30);1-4,9-13,24H,5-8H2,(H2,22,23)(H,27,28);5-11,24H,1-4H2,(H2,21,22)(H,23,27)(H,28,29)
• InChIKey: IWPXURNGTOUEEU-UHFFFAOYSA-N
• XLogP: 10.96
• TPSA: 356.66 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 17
• Rotatable Bonds: 10
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1233.41
LogP ≤ 5	10.96
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-oxo-1,6-dihydropyrrolo[2,3-c]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;1-[4-[8-amino-1-(7-pyridin-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]propan-1-one?

The IUPAC name of 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-oxo-1,6-dihydropyrrolo[2,3-c]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;1-[4-[8-amino-1-(7-pyridin-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]propan-1-one (CID 158827443) is 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-oxo-1,6-dihydropyrrolo[2,3-c]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;1-[4-[8-amino-1-(7-pyridin-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]propan-1-one.

What is the SMILES notation for 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-oxo-1,6-dihydropyrrolo[2,3-c]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;1-[4-[8-amino-1-(7-pyridin-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]propan-1-one?

The canonical SMILES for 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-oxo-1,6-dihydropyrrolo[2,3-c]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;1-[4-[8-amino-1-(7-pyridin-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(c2nc(-c3cc4cccc(-c5ccccn5)c4[nH]3)c3c(N)nccn23)CC1.Nc1nccn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cc[nH]c(=O)c4[nH]3)c12.Nc1nccn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4ccccc4[nH]3)c12.

What is the InChIKey of 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-oxo-1,6-dihydropyrrolo[2,3-c]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;1-[4-[8-amino-1-(7-pyridin-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]propan-1-one?

The InChIKey is IWPXURNGTOUEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O.C21H21N5O2.C20H20N6O3/c1-2-22(35)33-13-9-17(10-14-33)27-32-24(25-26(28)30-12-15-34(25)27)21-16-18-6-5-7-19(23(18)31-21)20-8-3-4-11-29-20;22-19-18-17(16-11-14-3-1-2-4-15(14)24-16)25-20(26(18)10-9-23-19)12-5-7-13(8-6-12)21(27)28;21-17-16-15(13-9-12-5-6-23-19(27)14(12)24-13)25-18(26(16)8-7-22-17)10-1-3-11(4-2-10)20(28)29/h3-8,11-12,15-17,31H,2,9-10,13-14H2,1H3,(H2,28,30);1-4,9-13,24H,5-8H2,(H2,22,23)(H,27,28);5-11,24H,1-4H2,(H2,21,22)(H,23,27)(H,28,29).

What are the key properties of 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-oxo-1,6-dihydropyrrolo[2,3-c]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;1-[4-[8-amino-1-(7-pyridin-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]propan-1-one?

4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-oxo-1,6-dihydropyrrolo[2,3-c]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;1-[4-[8-amino-1-(7-pyridin-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]propan-1-one has a molecular weight of 1233.41 g/mol, XLogP of 10.96, 10 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-oxo-1,6-dihydropyrrolo[2,3-c]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;1-[4-[8-amino-1-(7-pyridin-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 158827443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).