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;N-[[4-[8-amino-1-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide

C65H70N18O6 — CID 160869655

IUPAC4-[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;N-[[4-[8-amino-1-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide
SMILESCC(=O)NCC1CCC(c2nc(-c3cc4ncccc4[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
InChIInChI=1S/C23H25N5O2.C22H25N7O.C20H20N6O3/c1-2-16-12-25-21(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;1-13(30)26-12-14-4-6-15(7-5-14)22-28-19(20-21(23)25-9-10-29(20)22)18-11-17-16(27-18)3-2-8-24-17;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/h3-6,11-14,26H,2,7-10H2,1H3,(H2,24,25)(H,29,30);2-3,8-11,14-15,27H,4-7,12H2,1H3,(H2,23,25)(H,26,30);5-11,24H,1-4H2,(H2,21,22)(H,23,27)(H,28,29)
InChIKeySLOZXSGBTIDZRI-UHFFFAOYSA-N
MW1199.39 g/mol
LogP10.15
Rot. Bonds11

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;N-[[4-[8-amino-1-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide

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;N-[[4-[8-amino-1-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide (PubChem CID 160869655) has the molecular formula C65H70N18O6 and a molecular weight of 1199.39 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;N-[[4-[8-amino-1-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide.

Molecular Properties

Compound Name4-[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;N-[[4-[8-amino-1-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide
PubChem CID160869655
Molecular FormulaC65H70N18O6
Molecular Weight1199.39 g/mol
Exact Mass1198.57
IUPAC Name4-[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;N-[[4-[8-amino-1-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide
SMILESCC(=O)NCC1CCC(c2nc(-c3cc4ncccc4[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
InChIInChI=1S/C23H25N5O2.C22H25N7O.C20H20N6O3/c1-2-16-12-25-21(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;1-13(30)26-12-14-4-6-15(7-5-14)22-28-19(20-21(23)25-9-10-29(20)22)18-11-17-16(27-18)3-2-8-24-17;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/h3-6,11-14,26H,2,7-10H2,1H3,(H2,24,25)(H,29,30);2-3,8-11,14-15,27H,4-7,12H2,1H3,(H2,23,25)(H,26,30);5-11,24H,1-4H2,(H2,21,22)(H,23,27)(H,28,29)
InChIKeySLOZXSGBTIDZRI-UHFFFAOYSA-N
XLogP10.15
TPSA365.45 Ų
H-Bond Donors10
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms89
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001199.39
LogP ≤ 510.15
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1017

Analyze 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;N-[[4-[8-amino-1-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide with MolForge

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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;N-[[4-[8-amino-1-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide?
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;N-[[4-[8-amino-1-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide (CID 160869655) 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;N-[[4-[8-amino-1-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide.
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;N-[[4-[8-amino-1-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide?
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;N-[[4-[8-amino-1-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide is CC(=O)NCC1CCC(c2nc(-c3cc4ncccc4[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;N-[[4-[8-amino-1-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide?
The InChIKey is SLOZXSGBTIDZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2.C22H25N7O.C20H20N6O3/c1-2-16-12-25-21(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;1-13(30)26-12-14-4-6-15(7-5-14)22-28-19(20-21(23)25-9-10-29(20)22)18-11-17-16(27-18)3-2-8-24-17;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/h3-6,11-14,26H,2,7-10H2,1H3,(H2,24,25)(H,29,30);2-3,8-11,14-15,27H,4-7,12H2,1H3,(H2,23,25)(H,26,30);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;N-[[4-[8-amino-1-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide?
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;N-[[4-[8-amino-1-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide has a molecular weight of 1199.39 g/mol, XLogP of 10.15, 11 rotatable bonds, 10 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;N-[[4-[8-amino-1-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide is sourced from PubChem (CID 160869655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).