4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide

C27H29N5O2 — CID 11408442

IUPAC4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(c2nc(-c3cccc(OCc4ccccc4)c3)c3c(N)nccn23)CC1
InChIInChI=1S/C27H29N5O2/c1-29-27(33)20-12-10-19(11-13-20)26-31-23(24-25(28)30-14-15-32(24)26)21-8-5-9-22(16-21)34-17-18-6-3-2-4-7-18/h2-9,14-16,19-20H,10-13,17H2,1H3,(H2,28,30)(H,29,33)
InChIKeyRZDLGDRVOVNNQW-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.58
Rot. Bonds6

About 4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide

4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide (PubChem CID 11408442) has the molecular formula C27H29N5O2 and a molecular weight of 455.56 g/mol. Its IUPAC name is 4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide
PubChem CID11408442
Molecular FormulaC27H29N5O2
Molecular Weight455.56 g/mol
Exact Mass455.23
IUPAC Name4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(c2nc(-c3cccc(OCc4ccccc4)c3)c3c(N)nccn23)CC1
InChIInChI=1S/C27H29N5O2/c1-29-27(33)20-12-10-19(11-13-20)26-31-23(24-25(28)30-14-15-32(24)26)21-8-5-9-22(16-21)34-17-18-6-3-2-4-7-18/h2-9,14-16,19-20H,10-13,17H2,1H3,(H2,28,30)(H,29,33)
InChIKeyRZDLGDRVOVNNQW-UHFFFAOYSA-N
XLogP4.58
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.58
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-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide (CID 11408442) is 4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide is CNC(=O)C1CCC(c2nc(-c3cccc(OCc4ccccc4)c3)c3c(N)nccn23)CC1.
What is the InChIKey of 4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide?
The InChIKey is RZDLGDRVOVNNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2/c1-29-27(33)20-12-10-19(11-13-20)26-31-23(24-25(28)30-14-15-32(24)26)21-8-5-9-22(16-21)34-17-18-6-3-2-4-7-18/h2-9,14-16,19-20H,10-13,17H2,1H3,(H2,28,30)(H,29,33).
What are the key properties of 4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide?
4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-1-(3-phenylmethoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 11408442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).