[4-[8-amino-1-(7-fluoro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone

C24H21FN6OS — CID 59133188

IUPAC[4-[8-amino-1-(7-fluoro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone
SMILESNc1nccn2c(C3CCN(C(=O)c4ccsc4)CC3)nc(-c3cc4cccc(F)c4[nH]3)c12
InChIInChI=1S/C24H21FN6OS/c25-17-3-1-2-15-12-18(28-19(15)17)20-21-22(26)27-7-10-31(21)23(29-20)14-4-8-30(9-5-14)24(32)16-6-11-33-13-16/h1-3,6-7,10-14,28H,4-5,8-9H2,(H2,26,27)
InChIKeyUBGSDWIVHIVODR-UHFFFAOYSA-N
MW460.54 g/mol
LogP4.68
Rot. Bonds3

About [4-[8-amino-1-(7-fluoro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone

[4-[8-amino-1-(7-fluoro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 59133188) has the molecular formula C24H21FN6OS and a molecular weight of 460.54 g/mol. Its IUPAC name is [4-[8-amino-1-(7-fluoro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-[8-amino-1-(7-fluoro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone
PubChem CID59133188
Molecular FormulaC24H21FN6OS
Molecular Weight460.54 g/mol
Exact Mass460.15
IUPAC Name[4-[8-amino-1-(7-fluoro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone
SMILESNc1nccn2c(C3CCN(C(=O)c4ccsc4)CC3)nc(-c3cc4cccc(F)c4[nH]3)c12
InChIInChI=1S/C24H21FN6OS/c25-17-3-1-2-15-12-18(28-19(15)17)20-21-22(26)27-7-10-31(21)23(29-20)14-4-8-30(9-5-14)24(32)16-6-11-33-13-16/h1-3,6-7,10-14,28H,4-5,8-9H2,(H2,26,27)
InChIKeyUBGSDWIVHIVODR-UHFFFAOYSA-N
XLogP4.68
TPSA92.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[8-amino-1-(7-fluoro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [4-[8-amino-1-(7-fluoro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone (CID 59133188) is [4-[8-amino-1-(7-fluoro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-[8-amino-1-(7-fluoro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-[8-amino-1-(7-fluoro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone is Nc1nccn2c(C3CCN(C(=O)c4ccsc4)CC3)nc(-c3cc4cccc(F)c4[nH]3)c12.
What is the InChIKey of [4-[8-amino-1-(7-fluoro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is UBGSDWIVHIVODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6OS/c25-17-3-1-2-15-12-18(28-19(15)17)20-21-22(26)27-7-10-31(21)23(29-20)14-4-8-30(9-5-14)24(32)16-6-11-33-13-16/h1-3,6-7,10-14,28H,4-5,8-9H2,(H2,26,27).
What are the key properties of [4-[8-amino-1-(7-fluoro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone?
[4-[8-amino-1-(7-fluoro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 460.54 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[8-amino-1-(7-fluoro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 59133188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).