4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(2,6-dimethyl-3-pyridinyl)cyclohexane-1-carboxamide;4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(3-fluorophenyl)cyclohexane-1-carboxamide;3-cyclobutyl-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-8-amine

C74H72F2N18O2 — CID 159386294

IUPAC4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(2,6-dimethyl-3-pyridinyl)cyclohexane-1-carboxamide;4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(3-fluorophenyl)cyclohexane-1-carboxamide;3-cyclobutyl-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESCc1ccc(NC(=O)C2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)c(C)n1.Cn1ccc2ccc(-c3nc(C4CCC4)n4ccnc(N)c34)c(F)c21.Nc1nccn2c(C3CCC(C(=O)Nc4cccc(F)c4)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C28H29N7O.C27H25FN6O.C19H18FN5/c1-16-7-12-21(17(2)31-16)33-28(36)19-10-8-18(9-11-19)27-34-24(25-26(29)30-13-14-35(25)27)23-15-20-5-3-4-6-22(20)32-23;28-19-5-3-6-20(15-19)31-27(35)17-10-8-16(9-11-17)26-33-23(24-25(29)30-12-13-34(24)26)22-14-18-4-1-2-7-21(18)32-22;1-24-9-7-11-5-6-13(14(20)16(11)24)15-17-18(21)22-8-10-25(17)19(23-15)12-3-2-4-12/h3-7,12-15,18-19,32H,8-11H2,1-2H3,(H2,29,30)(H,33,36);1-7,12-17,32H,8-11H2,(H2,29,30)(H,31,35);5-10,12H,2-4H2,1H3,(H2,21,22)
InChIKeyLLNPHAKDKTWJAA-UHFFFAOYSA-N
MW1283.51 g/mol
LogP14.77
Rot. Bonds10

About 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(2,6-dimethyl-3-pyridinyl)cyclohexane-1-carboxamide;4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(3-fluorophenyl)cyclohexane-1-carboxamide;3-cyclobutyl-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-8-amine

4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(2,6-dimethyl-3-pyridinyl)cyclohexane-1-carboxamide;4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(3-fluorophenyl)cyclohexane-1-carboxamide;3-cyclobutyl-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 159386294) has the molecular formula C74H72F2N18O2 and a molecular weight of 1283.51 g/mol. Its IUPAC name is 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(2,6-dimethyl-3-pyridinyl)cyclohexane-1-carboxamide;4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(3-fluorophenyl)cyclohexane-1-carboxamide;3-cyclobutyl-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(2,6-dimethyl-3-pyridinyl)cyclohexane-1-carboxamide;4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(3-fluorophenyl)cyclohexane-1-carboxamide;3-cyclobutyl-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID159386294
Molecular FormulaC74H72F2N18O2
Molecular Weight1283.51 g/mol
Exact Mass1282.61
IUPAC Name4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(2,6-dimethyl-3-pyridinyl)cyclohexane-1-carboxamide;4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(3-fluorophenyl)cyclohexane-1-carboxamide;3-cyclobutyl-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESCc1ccc(NC(=O)C2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)c(C)n1.Cn1ccc2ccc(-c3nc(C4CCC4)n4ccnc(N)c34)c(F)c21.Nc1nccn2c(C3CCC(C(=O)Nc4cccc(F)c4)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C28H29N7O.C27H25FN6O.C19H18FN5/c1-16-7-12-21(17(2)31-16)33-28(36)19-10-8-18(9-11-19)27-34-24(25-26(29)30-13-14-35(25)27)23-15-20-5-3-4-6-22(20)32-23;28-19-5-3-6-20(15-19)31-27(35)17-10-8-16(9-11-17)26-33-23(24-25(29)30-12-13-34(24)26)22-14-18-4-1-2-7-21(18)32-22;1-24-9-7-11-5-6-13(14(20)16(11)24)15-17-18(21)22-8-10-25(17)19(23-15)12-3-2-4-12/h3-7,12-15,18-19,32H,8-11H2,1-2H3,(H2,29,30)(H,33,36);1-7,12-17,32H,8-11H2,(H2,29,30)(H,31,35);5-10,12H,2-4H2,1H3,(H2,21,22)
InChIKeyLLNPHAKDKTWJAA-UHFFFAOYSA-N
XLogP14.77
TPSA276.23 Ų
H-Bond Donors7
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms96
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001283.51
LogP ≤ 514.77
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(2,6-dimethyl-3-pyridinyl)cyclohexane-1-carboxamide;4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(3-fluorophenyl)cyclohexane-1-carboxamide;3-cyclobutyl-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-8-amine with MolForge

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Related Compounds

US11071730, Example 67
CID 146592363
US11071730, Example 167
CID 146592380
US11071730, Example 177
CID 146592405
US11071730, Example 91
CID 146592437
US11071730, Example 105
CID 146592462
US11071730, Example 57
CID 146639925
US11071730, Example 61
CID 146639926
US11071730, Example 21
CID 146639939
US11071730, Example 42
CID 146639948
US11071730, Example 60
CID 146639955
US11071730, Example 28
CID 146639961
US11071730, Example 27
CID 146639964

Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(2,6-dimethyl-3-pyridinyl)cyclohexane-1-carboxamide;4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(3-fluorophenyl)cyclohexane-1-carboxamide;3-cyclobutyl-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(2,6-dimethyl-3-pyridinyl)cyclohexane-1-carboxamide;4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(3-fluorophenyl)cyclohexane-1-carboxamide;3-cyclobutyl-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-8-amine (CID 159386294) is 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(2,6-dimethyl-3-pyridinyl)cyclohexane-1-carboxamide;4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(3-fluorophenyl)cyclohexane-1-carboxamide;3-cyclobutyl-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(2,6-dimethyl-3-pyridinyl)cyclohexane-1-carboxamide;4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(3-fluorophenyl)cyclohexane-1-carboxamide;3-cyclobutyl-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(2,6-dimethyl-3-pyridinyl)cyclohexane-1-carboxamide;4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(3-fluorophenyl)cyclohexane-1-carboxamide;3-cyclobutyl-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-8-amine is Cc1ccc(NC(=O)C2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)c(C)n1.Cn1ccc2ccc(-c3nc(C4CCC4)n4ccnc(N)c34)c(F)c21.Nc1nccn2c(C3CCC(C(=O)Nc4cccc(F)c4)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]-N-(2,6-dimethyl-3-pyridinyl)cyclohexane-1-carboxamide;4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(3-fluorophenyl)cyclohexane-1-carboxamide;3-cyclobutyl-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is LLNPHAKDKTWJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O.C27H25FN6O.C19H18FN5/c1-16-7-12-21(17(2)31-16)33-28(36)19-10-8-18(9-11-19)27-34-24(25-26(29)30-13-14-35(25)27)23-15-20-5-3-4-6-22(20)32-23;28-19-5-3-6-20(15-19)31-27(35)17-10-8-16(9-11-17)26-33-23(24-25(29)30-12-13-34(24)26)22-14-18-4-1-2-7-21(18)32-22;1-24-9-7-11-5-6-13(14(20)16(11)24)15-17-18(21)22-8-10-25(17)19(23-15)12-3-2-4-12/h3-7,12-15,18-19,32H,8-11H2,1-2H3,(H2,29,30)(H,33,36);1-7,12-17,32H,8-11H2,(H2,29,30)(H,31,35);5-10,12H,2-4H2,1H3,(H2,21,22).
What are the key properties of 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(2,6-dimethyl-3-pyridinyl)cyclohexane-1-carboxamide;4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(3-fluorophenyl)cyclohexane-1-carboxamide;3-cyclobutyl-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-8-amine?
4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(2,6-dimethyl-3-pyridinyl)cyclohexane-1-carboxamide;4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(3-fluorophenyl)cyclohexane-1-carboxamide;3-cyclobutyl-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 1283.51 g/mol, XLogP of 14.77, 10 rotatable bonds, 7 hydrogen bond donors, and 16 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]-N-(2,6-dimethyl-3-pyridinyl)cyclohexane-1-carboxamide;4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(3-fluorophenyl)cyclohexane-1-carboxamide;3-cyclobutyl-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 159386294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).