1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-methoxyethanone

C30H30N6O2 — CID 11547928

IUPAC1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(Cc2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)CC1
InChIInChI=1S/C30H30N6O2/c1-38-19-27(37)35-14-11-20(12-15-35)17-26-34-28(29-30(31)32-13-16-36(26)29)23-8-7-22-9-10-24(33-25(22)18-23)21-5-3-2-4-6-21/h2-10,13,16,18,20H,11-12,14-15,17,19H2,1H3,(H2,31,32)
InChIKeyCPHJMQUKBWPOKR-UHFFFAOYSA-N
MW506.61 g/mol
LogP4.62
Rot. Bonds6

About 1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-methoxyethanone

1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-methoxyethanone (PubChem CID 11547928) has the molecular formula C30H30N6O2 and a molecular weight of 506.61 g/mol. Its IUPAC name is 1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-methoxyethanone
PubChem CID11547928
Molecular FormulaC30H30N6O2
Molecular Weight506.61 g/mol
Exact Mass506.24
IUPAC Name1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(Cc2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)CC1
InChIInChI=1S/C30H30N6O2/c1-38-19-27(37)35-14-11-20(12-15-35)17-26-34-28(29-30(31)32-13-16-36(26)29)23-8-7-22-9-10-24(33-25(22)18-23)21-5-3-2-4-6-21/h2-10,13,16,18,20H,11-12,14-15,17,19H2,1H3,(H2,31,32)
InChIKeyCPHJMQUKBWPOKR-UHFFFAOYSA-N
XLogP4.62
TPSA98.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.61
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-methoxyethanone (CID 11547928) is 1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCC(Cc2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)CC1.
What is the InChIKey of 1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-methoxyethanone?
The InChIKey is CPHJMQUKBWPOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N6O2/c1-38-19-27(37)35-14-11-20(12-15-35)17-26-34-28(29-30(31)32-13-16-36(26)29)23-8-7-22-9-10-24(33-25(22)18-23)21-5-3-2-4-6-21/h2-10,13,16,18,20H,11-12,14-15,17,19H2,1H3,(H2,31,32).
What are the key properties of 1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-methoxyethanone?
1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-methoxyethanone has a molecular weight of 506.61 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 11547928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).