4-[8-amino-5-ethyl-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

C70H72N18O6 — CID 157269022

About 4-[8-amino-5-ethyl-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-5-ethyl-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 157269022) has the molecular formula C70H72N18O6 and a molecular weight of 1261.47 g/mol. Its IUPAC name is 4-[8-amino-5-ethyl-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-5-ethyl-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: 157269022
• Molecular Formula: C70H72N18O6
• Molecular Weight: 1261.47 g/mol
• Exact Mass: 1260.59
• IUPAC Name: 4-[8-amino-5-ethyl-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.CCc1cnc(N)c2c(-c3cc4ccccc4[nH]3)nc(C3CCC(C(=O)O)CC3)n12.Nc1nccn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cc[nH]c(=O)c4[nH]3)c12
• InChI: InChI=1S/C27H27N7O.C23H25N5O2.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;1-2-16-12-25-21(24)20-19(18-11-15-5-3-4-6-17(15)26-18)27-22(28(16)20)13-7-9-14(10-8-13)23(29)30;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);3-6,11-14,26H,2,7-10H2,1H3,(H2,24,25)(H,29,30);5-11,24H,1-4H2,(H2,21,22)(H,23,27)(H,28,29)
• InChIKey: AYHXTGCQZSHHQW-UHFFFAOYSA-N
• XLogP: 11.52
• TPSA: 356.66 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 17
• Rotatable Bonds: 11
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1261.47
LogP ≤ 5	11.52
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-5-ethyl-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-5-ethyl-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 157269022) is 4-[8-amino-5-ethyl-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-5-ethyl-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-5-ethyl-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.CCc1cnc(N)c2c(-c3cc4ccccc4[nH]3)nc(C3CCC(C(=O)O)CC3)n12.Nc1nccn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cc[nH]c(=O)c4[nH]3)c12.

What is the InChIKey of 4-[8-amino-5-ethyl-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 AYHXTGCQZSHHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O.C23H25N5O2.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;1-2-16-12-25-21(24)20-19(18-11-15-5-3-4-6-17(15)26-18)27-22(28(16)20)13-7-9-14(10-8-13)23(29)30;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);3-6,11-14,26H,2,7-10H2,1H3,(H2,24,25)(H,29,30);5-11,24H,1-4H2,(H2,21,22)(H,23,27)(H,28,29).

What are the key properties of 4-[8-amino-5-ethyl-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-5-ethyl-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 1261.47 g/mol, XLogP of 11.52, 11 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-amino-5-ethyl-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 157269022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).