(8aR)-7-[5-[(1R)-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C26H25N7O — CID 122621785

IUPAC(8aR)-7-[5-[(1R)-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C1NC[C@@H]2CN(c3ncc(-c4ccc5nc6n(c5c4)[C@@H](c4ccccc4)CC6)cn3)CCN12
InChIInChI=1S/C26H25N7O/c34-26-29-15-20-16-31(10-11-32(20)26)25-27-13-19(14-28-25)18-6-7-21-23(12-18)33-22(8-9-24(33)30-21)17-4-2-1-3-5-17/h1-7,12-14,20,22H,8-11,15-16H2,(H,29,34)/t20-,22-/m1/s1
InChIKeyYHAMFHPZZGKVEL-IFMALSPDSA-N
MW451.53 g/mol
LogP3.24
Rot. Bonds3

About (8aR)-7-[5-[(1R)-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

(8aR)-7-[5-[(1R)-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 122621785) has the molecular formula C26H25N7O and a molecular weight of 451.53 g/mol. Its IUPAC name is (8aR)-7-[5-[(1R)-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aR)-7-[5-[(1R)-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID122621785
Molecular FormulaC26H25N7O
Molecular Weight451.53 g/mol
Exact Mass451.21
IUPAC Name(8aR)-7-[5-[(1R)-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESO=C1NC[C@@H]2CN(c3ncc(-c4ccc5nc6n(c5c4)[C@@H](c4ccccc4)CC6)cn3)CCN12
InChIInChI=1S/C26H25N7O/c34-26-29-15-20-16-31(10-11-32(20)26)25-27-13-19(14-28-25)18-6-7-21-23(12-18)33-22(8-9-24(33)30-21)17-4-2-1-3-5-17/h1-7,12-14,20,22H,8-11,15-16H2,(H,29,34)/t20-,22-/m1/s1
InChIKeyYHAMFHPZZGKVEL-IFMALSPDSA-N
XLogP3.24
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (8aR)-7-[5-[(1R)-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8aR)-7-[5-[(1R)-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aR)-7-[5-[(1R)-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 122621785) is (8aR)-7-[5-[(1R)-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aR)-7-[5-[(1R)-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aR)-7-[5-[(1R)-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is O=C1NC[C@@H]2CN(c3ncc(-c4ccc5nc6n(c5c4)[C@@H](c4ccccc4)CC6)cn3)CCN12.
What is the InChIKey of (8aR)-7-[5-[(1R)-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is YHAMFHPZZGKVEL-IFMALSPDSA-N. The full InChI is InChI=1S/C26H25N7O/c34-26-29-15-20-16-31(10-11-32(20)26)25-27-13-19(14-28-25)18-6-7-21-23(12-18)33-22(8-9-24(33)30-21)17-4-2-1-3-5-17/h1-7,12-14,20,22H,8-11,15-16H2,(H,29,34)/t20-,22-/m1/s1.
What are the key properties of (8aR)-7-[5-[(1R)-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
(8aR)-7-[5-[(1R)-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 451.53 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-7-[5-[(1R)-1-phenyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 122621785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).