1-(1H-indol-2-yl)-3-(1-prop-1-en-2-ylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine;1-methyl-4-(2,2,2-trifluoroethyl)benzene

C31H33F3N6 — CID 143541403

IUPAC1-(1H-indol-2-yl)-3-(1-prop-1-en-2-ylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine;1-methyl-4-(2,2,2-trifluoroethyl)benzene
SMILESC=C(C)N1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.Cc1ccc(CC(F)(F)F)cc1
InChIInChI=1S/C22H24N6.C9H9F3/c1-14(2)27-10-7-15(8-11-27)22-26-19(20-21(23)24-9-12-28(20)22)18-13-16-5-3-4-6-17(16)25-18;1-7-2-4-8(5-3-7)6-9(10,11)12/h3-6,9,12-13,15,25H,1,7-8,10-11H2,2H3,(H2,23,24);2-5H,6H2,1H3
InChIKeyGOTIUBKEUWNJBL-UHFFFAOYSA-N
MW546.64 g/mol
LogP7.27
Rot. Bonds4

About 1-(1H-indol-2-yl)-3-(1-prop-1-en-2-ylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine;1-methyl-4-(2,2,2-trifluoroethyl)benzene

1-(1H-indol-2-yl)-3-(1-prop-1-en-2-ylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine;1-methyl-4-(2,2,2-trifluoroethyl)benzene (PubChem CID 143541403) has the molecular formula C31H33F3N6 and a molecular weight of 546.64 g/mol. Its IUPAC name is 1-(1H-indol-2-yl)-3-(1-prop-1-en-2-ylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine;1-methyl-4-(2,2,2-trifluoroethyl)benzene.

Molecular Properties

Compound Name1-(1H-indol-2-yl)-3-(1-prop-1-en-2-ylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine;1-methyl-4-(2,2,2-trifluoroethyl)benzene
PubChem CID143541403
Molecular FormulaC31H33F3N6
Molecular Weight546.64 g/mol
Exact Mass546.27
IUPAC Name1-(1H-indol-2-yl)-3-(1-prop-1-en-2-ylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine;1-methyl-4-(2,2,2-trifluoroethyl)benzene
SMILESC=C(C)N1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.Cc1ccc(CC(F)(F)F)cc1
InChIInChI=1S/C22H24N6.C9H9F3/c1-14(2)27-10-7-15(8-11-27)22-26-19(20-21(23)24-9-12-28(20)22)18-13-16-5-3-4-6-17(16)25-18;1-7-2-4-8(5-3-7)6-9(10,11)12/h3-6,9,12-13,15,25H,1,7-8,10-11H2,2H3,(H2,23,24);2-5H,6H2,1H3
InChIKeyGOTIUBKEUWNJBL-UHFFFAOYSA-N
XLogP7.27
TPSA75.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.64
LogP ≤ 57.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-imidazol-2-yl)methanone
CID 59133083
[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 16678865
1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-methylsulfonylethanone
CID 58423415
[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 59133185
4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide
CID 16678248
[4-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carbonyl]phenyl]-oxidoazanium;hydrate
CID 159246300
1-(1H-indol-2-yl)-3-[1-[(2-methylcyclohexa-2,5-dien-1-yl)methyl]piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine
CID 143469524
[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl-benzylcarbamic acid
CID 66737965
4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide;methane
CID 158196554
1-[5-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-hydroxymethyl]thiophen-2-yl]ethanone
CID 143541293
[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone
CID 16678961
N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-(trifluoromethoxy)benzamide
CID 59133084

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-2-yl)-3-(1-prop-1-en-2-ylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine;1-methyl-4-(2,2,2-trifluoroethyl)benzene?
The IUPAC name of 1-(1H-indol-2-yl)-3-(1-prop-1-en-2-ylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine;1-methyl-4-(2,2,2-trifluoroethyl)benzene (CID 143541403) is 1-(1H-indol-2-yl)-3-(1-prop-1-en-2-ylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine;1-methyl-4-(2,2,2-trifluoroethyl)benzene.
What is the SMILES notation for 1-(1H-indol-2-yl)-3-(1-prop-1-en-2-ylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine;1-methyl-4-(2,2,2-trifluoroethyl)benzene?
The canonical SMILES for 1-(1H-indol-2-yl)-3-(1-prop-1-en-2-ylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine;1-methyl-4-(2,2,2-trifluoroethyl)benzene is C=C(C)N1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.Cc1ccc(CC(F)(F)F)cc1.
What is the InChIKey of 1-(1H-indol-2-yl)-3-(1-prop-1-en-2-ylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine;1-methyl-4-(2,2,2-trifluoroethyl)benzene?
The InChIKey is GOTIUBKEUWNJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6.C9H9F3/c1-14(2)27-10-7-15(8-11-27)22-26-19(20-21(23)24-9-12-28(20)22)18-13-16-5-3-4-6-17(16)25-18;1-7-2-4-8(5-3-7)6-9(10,11)12/h3-6,9,12-13,15,25H,1,7-8,10-11H2,2H3,(H2,23,24);2-5H,6H2,1H3.
What are the key properties of 1-(1H-indol-2-yl)-3-(1-prop-1-en-2-ylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine;1-methyl-4-(2,2,2-trifluoroethyl)benzene?
1-(1H-indol-2-yl)-3-(1-prop-1-en-2-ylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine;1-methyl-4-(2,2,2-trifluoroethyl)benzene has a molecular weight of 546.64 g/mol, XLogP of 7.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-2-yl)-3-(1-prop-1-en-2-ylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine;1-methyl-4-(2,2,2-trifluoroethyl)benzene is sourced from PubChem (CID 143541403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).