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

C27H27N7O2 — CID 90296327

IUPAC4-[8-amino-3-[(6R,8aR)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide
SMILESCc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CC[C@@H]5CCC(=O)N5C4)n4ccnc(N)c34)cc2)c1
InChIInChI=1S/C27H27N7O2/c1-16-10-11-29-21(14-16)31-27(36)18-4-2-17(3-5-18)23-24-25(28)30-12-13-33(24)26(32-23)19-6-7-20-8-9-22(35)34(20)15-19/h2-5,10-14,19-20H,6-9,15H2,1H3,(H2,28,30)(H,29,31,36)/t19-,20-/m1/s1
InChIKeyKIOAOMDYIDVMPI-WOJBJXKFSA-N
MW481.56 g/mol
LogP3.80
Rot. Bonds4

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

4-[8-amino-3-[(6R,8aR)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide (PubChem CID 90296327) has the molecular formula C27H27N7O2 and a molecular weight of 481.56 g/mol. Its IUPAC name is 4-[8-amino-3-[(6R,8aR)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-[8-amino-3-[(6R,8aR)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide
PubChem CID90296327
Molecular FormulaC27H27N7O2
Molecular Weight481.56 g/mol
Exact Mass481.22
IUPAC Name4-[8-amino-3-[(6R,8aR)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide
SMILESCc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CC[C@@H]5CCC(=O)N5C4)n4ccnc(N)c34)cc2)c1
InChIInChI=1S/C27H27N7O2/c1-16-10-11-29-21(14-16)31-27(36)18-4-2-17(3-5-18)23-24-25(28)30-12-13-33(24)26(32-23)19-6-7-20-8-9-22(35)34(20)15-19/h2-5,10-14,19-20H,6-9,15H2,1H3,(H2,28,30)(H,29,31,36)/t19-,20-/m1/s1
InChIKeyKIOAOMDYIDVMPI-WOJBJXKFSA-N
XLogP3.80
TPSA118.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-[8-amino-3-[(6S,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide
CID 90296326
4-[8-amino-3-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclobutyl-2-pyridinyl)benzamide
CID 123393192
4-[8-amino-3-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl)imidazo[1,5-a]pyrazin-1-yl]-N-(5-cyclopropyl-1-methylpyrazol-3-yl)benzamide
CID 123412966
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-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
CID 90316500
(6R,8aS)-6-[1-(4-acetylphenyl)-8-aminoimidazo[1,5-a]pyrazin-3-yl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 121456555
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-[3-methyl-4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 76901049
4-[8-amino-3-[(3R,6S)-6-methyl-1-(2-oxobutanoyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide
CID 90323762
4-[8-amino-3-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)pyrimidin-2-yl]benzamide
CID 123582592
4-[3-[(8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-8-(methylamino)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 144672892
5-[8-amino-3-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
CID 123880420
4-[8-amino-3-(4-oxo-1,2,3,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-7-yl)imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 123353511
4-[8-amino-3-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide
CID 90323720

Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-3-[(6R,8aR)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide?
The IUPAC name of 4-[8-amino-3-[(6R,8aR)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide (CID 90296327) is 4-[8-amino-3-[(6R,8aR)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 4-[8-amino-3-[(6R,8aR)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 4-[8-amino-3-[(6R,8aR)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide is Cc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CC[C@@H]5CCC(=O)N5C4)n4ccnc(N)c34)cc2)c1.
What is the InChIKey of 4-[8-amino-3-[(6R,8aR)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide?
The InChIKey is KIOAOMDYIDVMPI-WOJBJXKFSA-N. The full InChI is InChI=1S/C27H27N7O2/c1-16-10-11-29-21(14-16)31-27(36)18-4-2-17(3-5-18)23-24-25(28)30-12-13-33(24)26(32-23)19-6-7-20-8-9-22(35)34(20)15-19/h2-5,10-14,19-20H,6-9,15H2,1H3,(H2,28,30)(H,29,31,36)/t19-,20-/m1/s1.
What are the key properties of 4-[8-amino-3-[(6R,8aR)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide?
4-[8-amino-3-[(6R,8aR)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide has a molecular weight of 481.56 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-3-[(6R,8aR)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 90296327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).