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

C26H30N6O — CID 16678155

IUPACN-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]cyclobutanecarboxamide
SMILESNc1nccn2c(C3CCC(CNC(=O)C4CCC4)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C26H30N6O/c27-24-23-22(21-14-19-4-1-2-7-20(19)30-21)31-25(32(23)13-12-28-24)17-10-8-16(9-11-17)15-29-26(33)18-5-3-6-18/h1-2,4,7,12-14,16-18,30H,3,5-6,8-11,15H2,(H2,27,28)(H,29,33)
InChIKeyPTRZJRFJWSTRBX-UHFFFAOYSA-N
MW442.57 g/mol
LogP4.65
Rot. Bonds5

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

N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]cyclobutanecarboxamide (PubChem CID 16678155) has the molecular formula C26H30N6O and a molecular weight of 442.57 g/mol. Its IUPAC name is N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]cyclobutanecarboxamide
PubChem CID16678155
Molecular FormulaC26H30N6O
Molecular Weight442.57 g/mol
Exact Mass442.25
IUPAC NameN-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]cyclobutanecarboxamide
SMILESNc1nccn2c(C3CCC(CNC(=O)C4CCC4)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C26H30N6O/c27-24-23-22(21-14-19-4-1-2-7-20(19)30-21)31-25(32(23)13-12-28-24)17-10-8-16(9-11-17)15-29-26(33)18-5-3-6-18/h1-2,4,7,12-14,16-18,30H,3,5-6,8-11,15H2,(H2,27,28)(H,29,33)
InChIKeyPTRZJRFJWSTRBX-UHFFFAOYSA-N
XLogP4.65
TPSA101.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]cyclobutanecarboxamide (CID 16678155) is N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]cyclobutanecarboxamide is Nc1nccn2c(C3CCC(CNC(=O)C4CCC4)CC3)nc(-c3cc4ccccc4[nH]3)c12.
What is the InChIKey of N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]cyclobutanecarboxamide?
The InChIKey is PTRZJRFJWSTRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O/c27-24-23-22(21-14-19-4-1-2-7-20(19)30-21)31-25(32(23)13-12-28-24)17-10-8-16(9-11-17)15-29-26(33)18-5-3-6-18/h1-2,4,7,12-14,16-18,30H,3,5-6,8-11,15H2,(H2,27,28)(H,29,33).
What are the key properties of N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]cyclobutanecarboxamide?
N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]cyclobutanecarboxamide has a molecular weight of 442.57 g/mol, XLogP of 4.65, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 16678155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).