1-(1H-indol-2-yl)-3-[1-(2,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine

C22H23F3N6O2S — CID 68744550

IUPAC1-(1H-indol-2-yl)-3-[1-(2,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCN(S(=O)(=O)CC(F)C(F)F)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C22H23F3N6O2S/c23-15(20(24)25)12-34(32,33)30-8-5-13(6-9-30)22-29-18(19-21(26)27-7-10-31(19)22)17-11-14-3-1-2-4-16(14)28-17/h1-4,7,10-11,13,15,20,28H,5-6,8-9,12H2,(H2,26,27)
InChIKeyGHWSDMYQGHTISR-UHFFFAOYSA-N
MW492.53 g/mol
LogP3.57
Rot. Bonds6

About 1-(1H-indol-2-yl)-3-[1-(2,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine

1-(1H-indol-2-yl)-3-[1-(2,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 68744550) has the molecular formula C22H23F3N6O2S and a molecular weight of 492.53 g/mol. Its IUPAC name is 1-(1H-indol-2-yl)-3-[1-(2,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name1-(1H-indol-2-yl)-3-[1-(2,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine
PubChem CID68744550
Molecular FormulaC22H23F3N6O2S
Molecular Weight492.53 g/mol
Exact Mass492.16
IUPAC Name1-(1H-indol-2-yl)-3-[1-(2,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCN(S(=O)(=O)CC(F)C(F)F)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C22H23F3N6O2S/c23-15(20(24)25)12-34(32,33)30-8-5-13(6-9-30)22-29-18(19-21(26)27-7-10-31(19)22)17-11-14-3-1-2-4-16(14)28-17/h1-4,7,10-11,13,15,20,28H,5-6,8-9,12H2,(H2,26,27)
InChIKeyGHWSDMYQGHTISR-UHFFFAOYSA-N
XLogP3.57
TPSA109.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.53
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-2-yl)-3-[1-(2,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 1-(1H-indol-2-yl)-3-[1-(2,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine (CID 68744550) is 1-(1H-indol-2-yl)-3-[1-(2,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 1-(1H-indol-2-yl)-3-[1-(2,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 1-(1H-indol-2-yl)-3-[1-(2,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine is Nc1nccn2c(C3CCN(S(=O)(=O)CC(F)C(F)F)CC3)nc(-c3cc4ccccc4[nH]3)c12.
What is the InChIKey of 1-(1H-indol-2-yl)-3-[1-(2,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is GHWSDMYQGHTISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N6O2S/c23-15(20(24)25)12-34(32,33)30-8-5-13(6-9-30)22-29-18(19-21(26)27-7-10-31(19)22)17-11-14-3-1-2-4-16(14)28-17/h1-4,7,10-11,13,15,20,28H,5-6,8-9,12H2,(H2,26,27).
What are the key properties of 1-(1H-indol-2-yl)-3-[1-(2,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine?
1-(1H-indol-2-yl)-3-[1-(2,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 492.53 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-2-yl)-3-[1-(2,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 68744550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).