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

C27H26N6O2 — CID 16678653

IUPAC[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)cc1
InChIInChI=1S/C27H26N6O2/c1-35-20-8-6-18(7-9-20)27(34)32-13-10-17(11-14-32)26-31-23(24-25(28)29-12-15-33(24)26)22-16-19-4-2-3-5-21(19)30-22/h2-9,12,15-17,30H,10-11,13-14H2,1H3,(H2,28,29)
InChIKeyWUUBALUEMIVKLN-UHFFFAOYSA-N
MW466.55 g/mol
LogP4.49
Rot. Bonds4

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

[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 16678653) has the molecular formula C27H26N6O2 and a molecular weight of 466.55 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-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID16678653
Molecular FormulaC27H26N6O2
Molecular Weight466.55 g/mol
Exact Mass466.21
IUPAC Name[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)cc1
InChIInChI=1S/C27H26N6O2/c1-35-20-8-6-18(7-9-20)27(34)32-13-10-17(11-14-32)26-31-23(24-25(28)29-12-15-33(24)26)22-16-19-4-2-3-5-21(19)30-22/h2-9,12,15-17,30H,10-11,13-14H2,1H3,(H2,28,29)
InChIKeyWUUBALUEMIVKLN-UHFFFAOYSA-N
XLogP4.49
TPSA101.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 54.49
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-methoxyphenyl)methanone?
The IUPAC name of [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone (CID 16678653) is [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-methoxyphenyl)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-methoxyphenyl)methanone?
The canonical SMILES for [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(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-methoxyphenyl)methanone?
The InChIKey is WUUBALUEMIVKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2/c1-35-20-8-6-18(7-9-20)27(34)32-13-10-17(11-14-32)26-31-23(24-25(28)29-12-15-33(24)26)22-16-19-4-2-3-5-21(19)30-22/h2-9,12,15-17,30H,10-11,13-14H2,1H3,(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]-(4-methoxyphenyl)methanone?
[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 466.55 g/mol, XLogP of 4.49, 4 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-methoxyphenyl)methanone is sourced from PubChem (CID 16678653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).