4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide

C22H25N7O — CID 16679060

IUPAC4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1
InChIInChI=1S/C22H25N7O/c1-27(2)22(30)28-10-7-14(8-11-28)21-26-18(19-20(23)24-9-12-29(19)21)17-13-15-5-3-4-6-16(15)25-17/h3-6,9,12-14,25H,7-8,10-11H2,1-2H3,(H2,23,24)
InChIKeyAMCOPXBOIWZWHG-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.32
Rot. Bonds2

About 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide

4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 16679060) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide
PubChem CID16679060
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1
InChIInChI=1S/C22H25N7O/c1-27(2)22(30)28-10-7-14(8-11-28)21-26-18(19-20(23)24-9-12-29(19)21)17-13-15-5-3-4-6-16(15)25-17/h3-6,9,12-14,25H,7-8,10-11H2,1-2H3,(H2,23,24)
InChIKeyAMCOPXBOIWZWHG-UHFFFAOYSA-N
XLogP3.32
TPSA95.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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]-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide (CID 16679060) is 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide is CN(C)C(=O)N1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.
What is the InChIKey of 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is AMCOPXBOIWZWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O/c1-27(2)22(30)28-10-7-14(8-11-28)21-26-18(19-20(23)24-9-12-29(19)21)17-13-15-5-3-4-6-16(15)25-17/h3-6,9,12-14,25H,7-8,10-11H2,1-2H3,(H2,23,24).
What are the key properties of 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide?
4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 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]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 16679060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).