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]-3-cyclopropyloxy-N-(4-cyclopropyl-2-pyridinyl)benzamide

C32H33N7O3 — CID 90283573

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]-3-cyclopropyloxy-N-(4-cyclopropyl-2-pyridinyl)benzamide
SMILESNc1nccn2c([C@@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C5CC5)ccn4)cc3OC3CC3)c12
InChIInChI=1S/C32H33N7O3/c33-30-29-28(37-31(38(29)14-13-35-30)21-3-5-22-6-10-27(40)39(22)17-21)24-9-4-20(15-25(24)42-23-7-8-23)32(41)36-26-16-19(11-12-34-26)18-1-2-18/h4,9,11-16,18,21-23H,1-3,5-8,10,17H2,(H2,33,35)(H,34,36,41)/t21-,22+/m1/s1
InChIKeyFKTWFQUZHBOMCV-YADHBBJMSA-N
MW563.66 g/mol
LogP4.91
Rot. Bonds7

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]-3-cyclopropyloxy-N-(4-cyclopropyl-2-pyridinyl)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]-3-cyclopropyloxy-N-(4-cyclopropyl-2-pyridinyl)benzamide (PubChem CID 90283573) has the molecular formula C32H33N7O3 and a molecular weight of 563.66 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]-3-cyclopropyloxy-N-(4-cyclopropyl-2-pyridinyl)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]-3-cyclopropyloxy-N-(4-cyclopropyl-2-pyridinyl)benzamide
PubChem CID90283573
Molecular FormulaC32H33N7O3
Molecular Weight563.66 g/mol
Exact Mass563.26
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]-3-cyclopropyloxy-N-(4-cyclopropyl-2-pyridinyl)benzamide
SMILESNc1nccn2c([C@@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C5CC5)ccn4)cc3OC3CC3)c12
InChIInChI=1S/C32H33N7O3/c33-30-29-28(37-31(38(29)14-13-35-30)21-3-5-22-6-10-27(40)39(22)17-21)24-9-4-20(15-25(24)42-23-7-8-23)32(41)36-26-16-19(11-12-34-26)18-1-2-18/h4,9,11-16,18,21-23H,1-3,5-8,10,17H2,(H2,33,35)(H,34,36,41)/t21-,22+/m1/s1
InChIKeyFKTWFQUZHBOMCV-YADHBBJMSA-N
XLogP4.91
TPSA127.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.66
LogP ≤ 54.91
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]-3-cyclopropyloxy-N-(4-cyclopropyl-2-pyridinyl)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]-3-cyclopropyloxy-N-(4-cyclopropyl-2-pyridinyl)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]-3-cyclopropyloxy-N-(4-cyclopropyl-2-pyridinyl)benzamide (CID 90283573) 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]-3-cyclopropyloxy-N-(4-cyclopropyl-2-pyridinyl)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]-3-cyclopropyloxy-N-(4-cyclopropyl-2-pyridinyl)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]-3-cyclopropyloxy-N-(4-cyclopropyl-2-pyridinyl)benzamide is Nc1nccn2c([C@@H]3CC[C@H]4CCC(=O)N4C3)nc(-c3ccc(C(=O)Nc4cc(C5CC5)ccn4)cc3OC3CC3)c12.
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]-3-cyclopropyloxy-N-(4-cyclopropyl-2-pyridinyl)benzamide?
The InChIKey is FKTWFQUZHBOMCV-YADHBBJMSA-N. The full InChI is InChI=1S/C32H33N7O3/c33-30-29-28(37-31(38(29)14-13-35-30)21-3-5-22-6-10-27(40)39(22)17-21)24-9-4-20(15-25(24)42-23-7-8-23)32(41)36-26-16-19(11-12-34-26)18-1-2-18/h4,9,11-16,18,21-23H,1-3,5-8,10,17H2,(H2,33,35)(H,34,36,41)/t21-,22+/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]-3-cyclopropyloxy-N-(4-cyclopropyl-2-pyridinyl)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]-3-cyclopropyloxy-N-(4-cyclopropyl-2-pyridinyl)benzamide has a molecular weight of 563.66 g/mol, XLogP of 4.91, 7 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]-3-cyclopropyloxy-N-(4-cyclopropyl-2-pyridinyl)benzamide is sourced from PubChem (CID 90283573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).