[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-chloro-2-methylphenyl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-[1-(4-methylphenyl)cyclopropyl]methanone;methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate

C78H77ClN18O4 — CID 159319011

IUPAC[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-chloro-2-methylphenyl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-[1-(4-methylphenyl)cyclopropyl]methanone;methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.Cc1cc(Cl)ccc1C(=O)N1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.Cc1ccc(C2(C(=O)N3CCC(c4nc(-c5cc6ccccc6[nH]5)c5c(N)nccn45)CC3)CC2)cc1
InChIInChI=1S/C30H30N6O.C27H25ClN6O.C21H22N6O2/c1-19-6-8-22(9-7-19)30(12-13-30)29(37)35-15-10-20(11-16-35)28-34-25(26-27(31)32-14-17-36(26)28)24-18-21-4-2-3-5-23(21)33-24;1-16-14-19(28)6-7-20(16)27(35)33-11-8-17(9-12-33)26-32-23(24-25(29)30-10-13-34(24)26)22-15-18-4-2-3-5-21(18)31-22;1-29-21(28)26-9-6-13(7-10-26)20-25-17(18-19(22)23-8-11-27(18)20)16-12-14-4-2-3-5-15(14)24-16/h2-9,14,17-18,20,33H,10-13,15-16H2,1H3,(H2,31,32);2-7,10,13-15,17,31H,8-9,11-12H2,1H3,(H2,29,30);2-5,8,11-13,24H,6-7,9-10H2,1H3,(H2,22,23)
InChIKeyLDMZHJMITBVKEM-UHFFFAOYSA-N
MW1366.05 g/mol
LogP14.05
Rot. Bonds9

About [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-chloro-2-methylphenyl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-[1-(4-methylphenyl)cyclopropyl]methanone;methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate

[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-chloro-2-methylphenyl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-[1-(4-methylphenyl)cyclopropyl]methanone;methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate (PubChem CID 159319011) has the molecular formula C78H77ClN18O4 and a molecular weight of 1366.05 g/mol. Its IUPAC name is [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-chloro-2-methylphenyl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-[1-(4-methylphenyl)cyclopropyl]methanone;methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Name[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-chloro-2-methylphenyl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-[1-(4-methylphenyl)cyclopropyl]methanone;methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate
PubChem CID159319011
Molecular FormulaC78H77ClN18O4
Molecular Weight1366.05 g/mol
Exact Mass1364.61
IUPAC Name[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-chloro-2-methylphenyl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-[1-(4-methylphenyl)cyclopropyl]methanone;methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.Cc1cc(Cl)ccc1C(=O)N1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.Cc1ccc(C2(C(=O)N3CCC(c4nc(-c5cc6ccccc6[nH]5)c5c(N)nccn45)CC3)CC2)cc1
InChIInChI=1S/C30H30N6O.C27H25ClN6O.C21H22N6O2/c1-19-6-8-22(9-7-19)30(12-13-30)29(37)35-15-10-20(11-16-35)28-34-25(26-27(31)32-14-17-36(26)28)24-18-21-4-2-3-5-23(21)33-24;1-16-14-19(28)6-7-20(16)27(35)33-11-8-17(9-12-33)26-32-23(24-25(29)30-10-13-34(24)26)22-15-18-4-2-3-5-21(18)31-22;1-29-21(28)26-9-6-13(7-10-26)20-25-17(18-19(22)23-8-11-27(18)20)16-12-14-4-2-3-5-15(14)24-16/h2-9,14,17-18,20,33H,10-13,15-16H2,1H3,(H2,31,32);2-7,10,13-15,17,31H,8-9,11-12H2,1H3,(H2,29,30);2-5,8,11-13,24H,6-7,9-10H2,1H3,(H2,22,23)
InChIKeyLDMZHJMITBVKEM-UHFFFAOYSA-N
XLogP14.05
TPSA286.16 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds9
Heavy Atoms101
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001366.05
LogP ≤ 514.05
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-chloro-2-methylphenyl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-[1-(4-methylphenyl)cyclopropyl]methanone;methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-chloro-2-methylphenyl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-[1-(4-methylphenyl)cyclopropyl]methanone;methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate?
The IUPAC name of [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-chloro-2-methylphenyl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-[1-(4-methylphenyl)cyclopropyl]methanone;methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate (CID 159319011) is [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-chloro-2-methylphenyl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-[1-(4-methylphenyl)cyclopropyl]methanone;methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-chloro-2-methylphenyl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-[1-(4-methylphenyl)cyclopropyl]methanone;methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate?
The canonical SMILES for [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-chloro-2-methylphenyl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-[1-(4-methylphenyl)cyclopropyl]methanone;methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate is COC(=O)N1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.Cc1cc(Cl)ccc1C(=O)N1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.Cc1ccc(C2(C(=O)N3CCC(c4nc(-c5cc6ccccc6[nH]5)c5c(N)nccn45)CC3)CC2)cc1.
What is the InChIKey of [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-chloro-2-methylphenyl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-[1-(4-methylphenyl)cyclopropyl]methanone;methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate?
The InChIKey is LDMZHJMITBVKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N6O.C27H25ClN6O.C21H22N6O2/c1-19-6-8-22(9-7-19)30(12-13-30)29(37)35-15-10-20(11-16-35)28-34-25(26-27(31)32-14-17-36(26)28)24-18-21-4-2-3-5-23(21)33-24;1-16-14-19(28)6-7-20(16)27(35)33-11-8-17(9-12-33)26-32-23(24-25(29)30-10-13-34(24)26)22-15-18-4-2-3-5-21(18)31-22;1-29-21(28)26-9-6-13(7-10-26)20-25-17(18-19(22)23-8-11-27(18)20)16-12-14-4-2-3-5-15(14)24-16/h2-9,14,17-18,20,33H,10-13,15-16H2,1H3,(H2,31,32);2-7,10,13-15,17,31H,8-9,11-12H2,1H3,(H2,29,30);2-5,8,11-13,24H,6-7,9-10H2,1H3,(H2,22,23).
What are the key properties of [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-chloro-2-methylphenyl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-[1-(4-methylphenyl)cyclopropyl]methanone;methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate?
[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-chloro-2-methylphenyl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-[1-(4-methylphenyl)cyclopropyl]methanone;methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate has a molecular weight of 1366.05 g/mol, XLogP of 14.05, 9 rotatable bonds, 6 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]piperidin-1-yl]-(4-chloro-2-methylphenyl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-[1-(4-methylphenyl)cyclopropyl]methanone;methyl 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 159319011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).