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

C27H24N6O3 — CID 16678961

IUPAC[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone
SMILESNc1nccn2c(C3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C27H24N6O3/c28-25-24-23(20-13-17-3-1-2-4-19(17)30-20)31-26(33(24)12-9-29-25)16-7-10-32(11-8-16)27(34)18-5-6-21-22(14-18)36-15-35-21/h1-6,9,12-14,16,30H,7-8,10-11,15H2,(H2,28,29)
InChIKeyBODBQYHPFDZNIT-UHFFFAOYSA-N
MW480.53 g/mol
LogP4.21
Rot. Bonds3

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

[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone (PubChem CID 16678961) has the molecular formula C27H24N6O3 and a molecular weight of 480.53 g/mol. Its IUPAC name is [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone.

Molecular Properties

Compound Name[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone
PubChem CID16678961
Molecular FormulaC27H24N6O3
Molecular Weight480.53 g/mol
Exact Mass480.19
IUPAC Name[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone
SMILESNc1nccn2c(C3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C27H24N6O3/c28-25-24-23(20-13-17-3-1-2-4-19(17)30-20)31-26(33(24)12-9-29-25)16-7-10-32(11-8-16)27(34)18-5-6-21-22(14-18)36-15-35-21/h1-6,9,12-14,16,30H,7-8,10-11,15H2,(H2,28,29)
InChIKeyBODBQYHPFDZNIT-UHFFFAOYSA-N
XLogP4.21
TPSA110.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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]-(1,3-benzodioxol-5-yl)methanone?
The IUPAC name of [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) is [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-benzodioxol-5-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]-(1,3-benzodioxol-5-yl)methanone?
The canonical SMILES for [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone is Nc1nccn2c(C3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)nc(-c3cc4ccccc4[nH]3)c12.
What is the InChIKey of [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone?
The InChIKey is BODBQYHPFDZNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O3/c28-25-24-23(20-13-17-3-1-2-4-19(17)30-20)31-26(33(24)12-9-29-25)16-7-10-32(11-8-16)27(34)18-5-6-21-22(14-18)36-15-35-21/h1-6,9,12-14,16,30H,7-8,10-11,15H2,(H2,28,29).
What are the key properties of [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone?
[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1,3-benzodioxol-5-yl)methanone has a molecular weight of 480.53 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 7 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]-(1,3-benzodioxol-5-yl)methanone is sourced from PubChem (CID 16678961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).