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

C25H30N8O — CID 54587314

IUPAC[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)N2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)CC1
InChIInChI=1S/C25H30N8O/c1-30-12-14-32(15-13-30)25(34)31-9-6-17(7-10-31)24-29-21(22-23(26)27-8-11-33(22)24)20-16-18-4-2-3-5-19(18)28-20/h2-5,8,11,16-17,28H,6-7,9-10,12-15H2,1H3,(H2,26,27)
InChIKeyCXRYMRCHAWOIJQ-UHFFFAOYSA-N
MW458.57 g/mol
LogP3.01
Rot. Bonds2

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

[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 54587314) has the molecular formula C25H30N8O and a molecular weight of 458.57 g/mol. Its IUPAC name is [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID54587314
Molecular FormulaC25H30N8O
Molecular Weight458.57 g/mol
Exact Mass458.25
IUPAC Name[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)N2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)CC1
InChIInChI=1S/C25H30N8O/c1-30-12-14-32(15-13-30)25(34)31-9-6-17(7-10-31)24-29-21(22-23(26)27-8-11-33(22)24)20-16-18-4-2-3-5-19(18)28-20/h2-5,8,11,16-17,28H,6-7,9-10,12-15H2,1H3,(H2,26,27)
InChIKeyCXRYMRCHAWOIJQ-UHFFFAOYSA-N
XLogP3.01
TPSA98.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.01
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-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone (CID 54587314) is [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)N2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)CC1.
What is the InChIKey of [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is CXRYMRCHAWOIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O/c1-30-12-14-32(15-13-30)25(34)31-9-6-17(7-10-31)24-29-21(22-23(26)27-8-11-33(22)24)20-16-18-4-2-3-5-19(18)28-20/h2-5,8,11,16-17,28H,6-7,9-10,12-15H2,1H3,(H2,26,27).
What are the key properties of [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 458.57 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 6 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]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 54587314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).