4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1,5-dimethylpyrazol-3-yl)benzamide

C26H28N8O2 — CID 76900495

IUPAC4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1,5-dimethylpyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(-c3nc([C@@H]4CC[C@H]5CCC(=O)N5C4)n4ccnc(N)c34)cc2)nn1C
InChIInChI=1S/C26H28N8O2/c1-15-13-20(31-32(15)2)29-26(36)17-5-3-16(4-6-17)22-23-24(27)28-11-12-33(23)25(30-22)18-7-8-19-9-10-21(35)34(19)14-18/h3-6,11-13,18-19H,7-10,14H2,1-2H3,(H2,27,28)(H,29,31,36)/t18-,19+/m1/s1
InChIKeyAFGBGSMPEFFJOI-MOPGFXCFSA-N
MW484.56 g/mol
LogP3.14
Rot. Bonds4

About 4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1,5-dimethylpyrazol-3-yl)benzamide

4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1,5-dimethylpyrazol-3-yl)benzamide (PubChem CID 76900495) has the molecular formula C26H28N8O2 and a molecular weight of 484.56 g/mol. Its IUPAC name is 4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1,5-dimethylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1,5-dimethylpyrazol-3-yl)benzamide
PubChem CID76900495
Molecular FormulaC26H28N8O2
Molecular Weight484.56 g/mol
Exact Mass484.23
IUPAC Name4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1,5-dimethylpyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(-c3nc([C@@H]4CC[C@H]5CCC(=O)N5C4)n4ccnc(N)c34)cc2)nn1C
InChIInChI=1S/C26H28N8O2/c1-15-13-20(31-32(15)2)29-26(36)17-5-3-16(4-6-17)22-23-24(27)28-11-12-33(23)25(30-22)18-7-8-19-9-10-21(35)34(19)14-18/h3-6,11-13,18-19H,7-10,14H2,1-2H3,(H2,27,28)(H,29,31,36)/t18-,19+/m1/s1
InChIKeyAFGBGSMPEFFJOI-MOPGFXCFSA-N
XLogP3.14
TPSA123.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1,5-dimethylpyrazol-3-yl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1,5-dimethylpyrazol-3-yl)benzamide?
The IUPAC name of 4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1,5-dimethylpyrazol-3-yl)benzamide (CID 76900495) is 4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1,5-dimethylpyrazol-3-yl)benzamide.
What is the SMILES notation for 4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1,5-dimethylpyrazol-3-yl)benzamide?
The canonical SMILES for 4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1,5-dimethylpyrazol-3-yl)benzamide is Cc1cc(NC(=O)c2ccc(-c3nc([C@@H]4CC[C@H]5CCC(=O)N5C4)n4ccnc(N)c34)cc2)nn1C.
What is the InChIKey of 4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1,5-dimethylpyrazol-3-yl)benzamide?
The InChIKey is AFGBGSMPEFFJOI-MOPGFXCFSA-N. The full InChI is InChI=1S/C26H28N8O2/c1-15-13-20(31-32(15)2)29-26(36)17-5-3-16(4-6-17)22-23-24(27)28-11-12-33(23)25(30-22)18-7-8-19-9-10-21(35)34(19)14-18/h3-6,11-13,18-19H,7-10,14H2,1-2H3,(H2,27,28)(H,29,31,36)/t18-,19+/m1/s1.
What are the key properties of 4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1,5-dimethylpyrazol-3-yl)benzamide?
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1,5-dimethylpyrazol-3-yl)benzamide has a molecular weight of 484.56 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1,5-dimethylpyrazol-3-yl)benzamide is sourced from PubChem (CID 76900495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).