4-[8-[(2,4-dimethoxyphenyl)methylamino]-3-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl]-3-fluorobenzamide

C27H29FN6O3 — CID 71226236

IUPAC4-[8-[(2,4-dimethoxyphenyl)methylamino]-3-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl]-3-fluorobenzamide
SMILESCOc1ccc(CNc2nccn3c(C4CCCNC4)nc(-c4ccc(C(N)=O)cc4F)c23)c(OC)c1
InChIInChI=1S/C27H29FN6O3/c1-36-19-7-5-17(22(13-19)37-2)15-32-26-24-23(20-8-6-16(25(29)35)12-21(20)28)33-27(34(24)11-10-31-26)18-4-3-9-30-14-18/h5-8,10-13,18,30H,3-4,9,14-15H2,1-2H3,(H2,29,35)(H,31,32)
InChIKeyFQRFUFAHAQFCMI-UHFFFAOYSA-N
MW504.57 g/mol
LogP3.73
Rot. Bonds8

About 4-[8-[(2,4-dimethoxyphenyl)methylamino]-3-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl]-3-fluorobenzamide

4-[8-[(2,4-dimethoxyphenyl)methylamino]-3-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl]-3-fluorobenzamide (PubChem CID 71226236) has the molecular formula C27H29FN6O3 and a molecular weight of 504.57 g/mol. Its IUPAC name is 4-[8-[(2,4-dimethoxyphenyl)methylamino]-3-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-[8-[(2,4-dimethoxyphenyl)methylamino]-3-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl]-3-fluorobenzamide
PubChem CID71226236
Molecular FormulaC27H29FN6O3
Molecular Weight504.57 g/mol
Exact Mass504.23
IUPAC Name4-[8-[(2,4-dimethoxyphenyl)methylamino]-3-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl]-3-fluorobenzamide
SMILESCOc1ccc(CNc2nccn3c(C4CCCNC4)nc(-c4ccc(C(N)=O)cc4F)c23)c(OC)c1
InChIInChI=1S/C27H29FN6O3/c1-36-19-7-5-17(22(13-19)37-2)15-32-26-24-23(20-8-6-16(25(29)35)12-21(20)28)33-27(34(24)11-10-31-26)18-4-3-9-30-14-18/h5-8,10-13,18,30H,3-4,9,14-15H2,1-2H3,(H2,29,35)(H,31,32)
InChIKeyFQRFUFAHAQFCMI-UHFFFAOYSA-N
XLogP3.73
TPSA115.80 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.57
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[8-[(2,4-dimethoxyphenyl)methylamino]-3-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl]-3-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[8-[(2,4-dimethoxyphenyl)methylamino]-3-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl]-3-fluorobenzamide?
The IUPAC name of 4-[8-[(2,4-dimethoxyphenyl)methylamino]-3-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl]-3-fluorobenzamide (CID 71226236) is 4-[8-[(2,4-dimethoxyphenyl)methylamino]-3-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl]-3-fluorobenzamide.
What is the SMILES notation for 4-[8-[(2,4-dimethoxyphenyl)methylamino]-3-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl]-3-fluorobenzamide?
The canonical SMILES for 4-[8-[(2,4-dimethoxyphenyl)methylamino]-3-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl]-3-fluorobenzamide is COc1ccc(CNc2nccn3c(C4CCCNC4)nc(-c4ccc(C(N)=O)cc4F)c23)c(OC)c1.
What is the InChIKey of 4-[8-[(2,4-dimethoxyphenyl)methylamino]-3-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl]-3-fluorobenzamide?
The InChIKey is FQRFUFAHAQFCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN6O3/c1-36-19-7-5-17(22(13-19)37-2)15-32-26-24-23(20-8-6-16(25(29)35)12-21(20)28)33-27(34(24)11-10-31-26)18-4-3-9-30-14-18/h5-8,10-13,18,30H,3-4,9,14-15H2,1-2H3,(H2,29,35)(H,31,32).
What are the key properties of 4-[8-[(2,4-dimethoxyphenyl)methylamino]-3-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl]-3-fluorobenzamide?
4-[8-[(2,4-dimethoxyphenyl)methylamino]-3-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl]-3-fluorobenzamide has a molecular weight of 504.57 g/mol, XLogP of 3.73, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[(2,4-dimethoxyphenyl)methylamino]-3-piperidin-3-ylimidazo[1,5-a]pyrazin-1-yl]-3-fluorobenzamide is sourced from PubChem (CID 71226236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).