1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-2-ylethanone;1-(1H-indol-2-yl)-3-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine

C45H46N12OS — CID 158475306

IUPAC1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-2-ylethanone;1-(1H-indol-2-yl)-3-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESCN1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.Nc1nccn2c(C3CCN(C(=O)Cc4cccs4)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C25H24N6OS.C20H22N6/c26-24-23-22(20-14-17-4-1-2-6-19(17)28-20)29-25(31(23)12-9-27-24)16-7-10-30(11-8-16)21(32)15-18-5-3-13-33-18;1-25-9-6-13(7-10-25)20-24-17(18-19(21)22-8-11-26(18)20)16-12-14-4-2-3-5-15(14)23-16/h1-6,9,12-14,16,28H,7-8,10-11,15H2,(H2,26,27);2-5,8,11-13,23H,6-7,9-10H2,1H3,(H2,21,22)
InChIKeyHGVZJYJEBCGKNC-UHFFFAOYSA-N
MW803.01 g/mol
LogP7.74
Rot. Bonds6

About 1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-2-ylethanone;1-(1H-indol-2-yl)-3-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine

1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-2-ylethanone;1-(1H-indol-2-yl)-3-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 158475306) has the molecular formula C45H46N12OS and a molecular weight of 803.01 g/mol. Its IUPAC name is 1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-2-ylethanone;1-(1H-indol-2-yl)-3-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-2-ylethanone;1-(1H-indol-2-yl)-3-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID158475306
Molecular FormulaC45H46N12OS
Molecular Weight803.01 g/mol
Exact Mass802.36
IUPAC Name1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-2-ylethanone;1-(1H-indol-2-yl)-3-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESCN1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.Nc1nccn2c(C3CCN(C(=O)Cc4cccs4)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C25H24N6OS.C20H22N6/c26-24-23-22(20-14-17-4-1-2-6-19(17)28-20)29-25(31(23)12-9-27-24)16-7-10-30(11-8-16)21(32)15-18-5-3-13-33-18;1-25-9-6-13(7-10-25)20-24-17(18-19(21)22-8-11-26(18)20)16-12-14-4-2-3-5-15(14)23-16/h1-6,9,12-14,16,28H,7-8,10-11,15H2,(H2,26,27);2-5,8,11-13,23H,6-7,9-10H2,1H3,(H2,21,22)
InChIKeyHGVZJYJEBCGKNC-UHFFFAOYSA-N
XLogP7.74
TPSA167.55 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500803.01
LogP ≤ 57.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-2-ylethanone;1-(1H-indol-2-yl)-3-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine with MolForge

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Related Compounds

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N-[3-[3-[2-[3-[2-(dimethylamino)ethyl]anilino]pyrimidin-4-yl]-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide
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Frequently Asked Questions

What is the IUPAC name of 1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-2-ylethanone;1-(1H-indol-2-yl)-3-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-2-ylethanone;1-(1H-indol-2-yl)-3-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine (CID 158475306) is 1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-2-ylethanone;1-(1H-indol-2-yl)-3-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-2-ylethanone;1-(1H-indol-2-yl)-3-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-2-ylethanone;1-(1H-indol-2-yl)-3-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine is CN1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.Nc1nccn2c(C3CCN(C(=O)Cc4cccs4)CC3)nc(-c3cc4ccccc4[nH]3)c12.
What is the InChIKey of 1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-2-ylethanone;1-(1H-indol-2-yl)-3-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is HGVZJYJEBCGKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6OS.C20H22N6/c26-24-23-22(20-14-17-4-1-2-6-19(17)28-20)29-25(31(23)12-9-27-24)16-7-10-30(11-8-16)21(32)15-18-5-3-13-33-18;1-25-9-6-13(7-10-25)20-24-17(18-19(21)22-8-11-26(18)20)16-12-14-4-2-3-5-15(14)23-16/h1-6,9,12-14,16,28H,7-8,10-11,15H2,(H2,26,27);2-5,8,11-13,23H,6-7,9-10H2,1H3,(H2,21,22).
What are the key properties of 1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-2-ylethanone;1-(1H-indol-2-yl)-3-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine?
1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-2-ylethanone;1-(1H-indol-2-yl)-3-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 803.01 g/mol, XLogP of 7.74, 6 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-2-ylethanone;1-(1H-indol-2-yl)-3-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 158475306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).