2-[2-[(1R)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]phthalazin-1-one

C19H20N4O2 — CID 97133592

IUPAC2-[2-[(1R)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]phthalazin-1-one
SMILESCc1ccc2n1CCN(C(=O)Cn1ncc3ccccc3c1=O)[C@@H]2C
InChIInChI=1S/C19H20N4O2/c1-13-7-8-17-14(2)22(10-9-21(13)17)18(24)12-23-19(25)16-6-4-3-5-15(16)11-20-23/h3-8,11,14H,9-10,12H2,1-2H3/t14-/m1/s1
InChIKeyWMGMCGDIXPXRCT-CQSZACIVSA-N
MW336.40 g/mol
LogP2.11
Rot. Bonds2

About 2-[2-[(1R)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]phthalazin-1-one

2-[2-[(1R)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]phthalazin-1-one (PubChem CID 97133592) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-[2-[(1R)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]phthalazin-1-one.

Molecular Properties

Compound Name2-[2-[(1R)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]phthalazin-1-one
PubChem CID97133592
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-[2-[(1R)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]phthalazin-1-one
SMILESCc1ccc2n1CCN(C(=O)Cn1ncc3ccccc3c1=O)[C@@H]2C
InChIInChI=1S/C19H20N4O2/c1-13-7-8-17-14(2)22(10-9-21(13)17)18(24)12-23-19(25)16-6-4-3-5-15(16)11-20-23/h3-8,11,14H,9-10,12H2,1-2H3/t14-/m1/s1
InChIKeyWMGMCGDIXPXRCT-CQSZACIVSA-N
XLogP2.11
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]phthalazin-1-one?
The IUPAC name of 2-[2-[(1R)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]phthalazin-1-one (CID 97133592) is 2-[2-[(1R)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]phthalazin-1-one.
What is the SMILES notation for 2-[2-[(1R)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]phthalazin-1-one?
The canonical SMILES for 2-[2-[(1R)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]phthalazin-1-one is Cc1ccc2n1CCN(C(=O)Cn1ncc3ccccc3c1=O)[C@@H]2C.
What is the InChIKey of 2-[2-[(1R)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]phthalazin-1-one?
The InChIKey is WMGMCGDIXPXRCT-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-7-8-17-14(2)22(10-9-21(13)17)18(24)12-23-19(25)16-6-4-3-5-15(16)11-20-23/h3-8,11,14H,9-10,12H2,1-2H3/t14-/m1/s1.
What are the key properties of 2-[2-[(1R)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]phthalazin-1-one?
2-[2-[(1R)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]phthalazin-1-one has a molecular weight of 336.40 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1R)-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]phthalazin-1-one is sourced from PubChem (CID 97133592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).