N-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]pyridine-4-carboxamide

C29H26N6O2 — CID 11465992

IUPACN-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]pyridine-4-carboxamide
SMILESNc1nccn2c(C3CCC3)nc(-c3cccc(OCc4cccc(NC(=O)c5ccncc5)c4)c3)c12
InChIInChI=1S/C29H26N6O2/c30-27-26-25(34-28(20-5-2-6-20)35(26)15-14-32-27)22-7-3-9-24(17-22)37-18-19-4-1-8-23(16-19)33-29(36)21-10-12-31-13-11-21/h1,3-4,7-17,20H,2,5-6,18H2,(H2,30,32)(H,33,36)
InChIKeyYOCAHLHITWJFLR-UHFFFAOYSA-N
MW490.57 g/mol
LogP5.47
Rot. Bonds7

About N-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]pyridine-4-carboxamide

N-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]pyridine-4-carboxamide (PubChem CID 11465992) has the molecular formula C29H26N6O2 and a molecular weight of 490.57 g/mol. Its IUPAC name is N-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]pyridine-4-carboxamide
PubChem CID11465992
Molecular FormulaC29H26N6O2
Molecular Weight490.57 g/mol
Exact Mass490.21
IUPAC NameN-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]pyridine-4-carboxamide
SMILESNc1nccn2c(C3CCC3)nc(-c3cccc(OCc4cccc(NC(=O)c5ccncc5)c4)c3)c12
InChIInChI=1S/C29H26N6O2/c30-27-26-25(34-28(20-5-2-6-20)35(26)15-14-32-27)22-7-3-9-24(17-22)37-18-19-4-1-8-23(16-19)33-29(36)21-10-12-31-13-11-21/h1,3-4,7-17,20H,2,5-6,18H2,(H2,30,32)(H,33,36)
InChIKeyYOCAHLHITWJFLR-UHFFFAOYSA-N
XLogP5.47
TPSA107.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.57
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]pyridine-4-carboxamide (CID 11465992) is N-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]pyridine-4-carboxamide is Nc1nccn2c(C3CCC3)nc(-c3cccc(OCc4cccc(NC(=O)c5ccncc5)c4)c3)c12.
What is the InChIKey of N-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]pyridine-4-carboxamide?
The InChIKey is YOCAHLHITWJFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6O2/c30-27-26-25(34-28(20-5-2-6-20)35(26)15-14-32-27)22-7-3-9-24(17-22)37-18-19-4-1-8-23(16-19)33-29(36)21-10-12-31-13-11-21/h1,3-4,7-17,20H,2,5-6,18H2,(H2,30,32)(H,33,36).
What are the key properties of N-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]pyridine-4-carboxamide?
N-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]pyridine-4-carboxamide has a molecular weight of 490.57 g/mol, XLogP of 5.47, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 11465992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).