[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(3-methoxyphenoxy)ethanone

C84H79N19O7 — CID 159876461

IUPAC[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(3-methoxyphenoxy)ethanone
SMILESCOc1cccc(OCC(=O)N2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)c1.Nc1nccn2c(C3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)nc(-c3cc4ccccc4[nH]3)c12.Nc1nccn2c(C3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C29H27N7O.C28H28N6O3.C27H24N6O3/c30-28-27-26(24-15-19-5-1-3-7-22(19)33-24)34-29(36(27)14-11-31-28)18-9-12-35(13-10-18)25(37)16-20-17-32-23-8-4-2-6-21(20)23;1-36-20-6-4-7-21(16-20)37-17-24(35)33-12-9-18(10-13-33)28-32-25(26-27(29)30-11-14-34(26)28)23-15-19-5-2-3-8-22(19)31-23;28-25-24-23(20-13-17-3-1-2-4-19(17)30-20)31-26(33(24)12-9-29-25)16-7-10-32(11-8-16)27(34)18-5-6-21-22(14-18)36-15-35-21/h1-8,11,14-15,17-18,32-33H,9-10,12-13,16H2,(H2,30,31);2-8,11,14-16,18,31H,9-10,12-13,17H2,1H3,(H2,29,30);1-6,9,12-14,16,30H,7-8,10-11,15H2,(H2,28,29)
InChIKeyNSYUYBBCHWCZDR-UHFFFAOYSA-N
MW1466.68 g/mol
LogP13.35
Rot. Bonds13

About [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(3-methoxyphenoxy)ethanone

[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(3-methoxyphenoxy)ethanone (PubChem CID 159876461) has the molecular formula C84H79N19O7 and a molecular weight of 1466.68 g/mol. Its IUPAC name is [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(3-methoxyphenoxy)ethanone.

Molecular Properties

Compound Name[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(3-methoxyphenoxy)ethanone
PubChem CID159876461
Molecular FormulaC84H79N19O7
Molecular Weight1466.68 g/mol
Exact Mass1465.64
IUPAC Name[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(3-methoxyphenoxy)ethanone
SMILESCOc1cccc(OCC(=O)N2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)c1.Nc1nccn2c(C3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)nc(-c3cc4ccccc4[nH]3)c12.Nc1nccn2c(C3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C29H27N7O.C28H28N6O3.C27H24N6O3/c30-28-27-26(24-15-19-5-1-3-7-22(19)33-24)34-29(36(27)14-11-31-28)18-9-12-35(13-10-18)25(37)16-20-17-32-23-8-4-2-6-21(20)23;1-36-20-6-4-7-21(16-20)37-17-24(35)33-12-9-18(10-13-33)28-32-25(26-27(29)30-11-14-34(26)28)23-15-19-5-2-3-8-22(19)31-23;28-25-24-23(20-13-17-3-1-2-4-19(17)30-20)31-26(33(24)12-9-29-25)16-7-10-32(11-8-16)27(34)18-5-6-21-22(14-18)36-15-35-21/h1-8,11,14-15,17-18,32-33H,9-10,12-13,16H2,(H2,30,31);2-8,11,14-16,18,31H,9-10,12-13,17H2,1H3,(H2,29,30);1-6,9,12-14,16,30H,7-8,10-11,15H2,(H2,28,29)
InChIKeyNSYUYBBCHWCZDR-UHFFFAOYSA-N
XLogP13.35
TPSA329.64 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds13
Heavy Atoms110
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001466.68
LogP ≤ 513.35
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Analyze [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(3-methoxyphenoxy)ethanone 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]-(1,3-benzodioxol-5-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(3-methoxyphenoxy)ethanone?
The IUPAC name of [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(3-methoxyphenoxy)ethanone (CID 159876461) is [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(3-methoxyphenoxy)ethanone.
What is the SMILES notation for [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(3-methoxyphenoxy)ethanone?
The canonical SMILES for [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(3-methoxyphenoxy)ethanone is COc1cccc(OCC(=O)N2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)c1.Nc1nccn2c(C3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)nc(-c3cc4ccccc4[nH]3)c12.Nc1nccn2c(C3CCN(C(=O)c4ccc5c(c4)OCO5)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]piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(3-methoxyphenoxy)ethanone?
The InChIKey is NSYUYBBCHWCZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N7O.C28H28N6O3.C27H24N6O3/c30-28-27-26(24-15-19-5-1-3-7-22(19)33-24)34-29(36(27)14-11-31-28)18-9-12-35(13-10-18)25(37)16-20-17-32-23-8-4-2-6-21(20)23;1-36-20-6-4-7-21(16-20)37-17-24(35)33-12-9-18(10-13-33)28-32-25(26-27(29)30-11-14-34(26)28)23-15-19-5-2-3-8-22(19)31-23;28-25-24-23(20-13-17-3-1-2-4-19(17)30-20)31-26(33(24)12-9-29-25)16-7-10-32(11-8-16)27(34)18-5-6-21-22(14-18)36-15-35-21/h1-8,11,14-15,17-18,32-33H,9-10,12-13,16H2,(H2,30,31);2-8,11,14-16,18,31H,9-10,12-13,17H2,1H3,(H2,29,30);1-6,9,12-14,16,30H,7-8,10-11,15H2,(H2,28,29).
What are the key properties of [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(3-methoxyphenoxy)ethanone?
[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(3-methoxyphenoxy)ethanone has a molecular weight of 1466.68 g/mol, XLogP of 13.35, 13 rotatable bonds, 7 hydrogen bond donors, and 19 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]-(1,3-benzodioxol-5-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-(3-methoxyphenoxy)ethanone is sourced from PubChem (CID 159876461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).