2-(4-acetylpiperazin-1-yl)-4-(3-phenylmethoxypyrrolidin-1-yl)-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one

C26H34N6O3 — CID 68721916

IUPAC2-(4-acetylpiperazin-1-yl)-4-(3-phenylmethoxypyrrolidin-1-yl)-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one
SMILESCCCN1Cc2c(nc(N3CCN(C(C)=O)CC3)nc2N2CCC(OCc3ccccc3)C2)C1=O
InChIInChI=1S/C26H34N6O3/c1-3-10-32-17-22-23(25(32)34)27-26(30-14-12-29(13-15-30)19(2)33)28-24(22)31-11-9-21(16-31)35-18-20-7-5-4-6-8-20/h4-8,21H,3,9-18H2,1-2H3
InChIKeyFGLHBJCBISVRHG-UHFFFAOYSA-N
MW478.60 g/mol
LogP2.31
Rot. Bonds7

About 2-(4-acetylpiperazin-1-yl)-4-(3-phenylmethoxypyrrolidin-1-yl)-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one

2-(4-acetylpiperazin-1-yl)-4-(3-phenylmethoxypyrrolidin-1-yl)-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one (PubChem CID 68721916) has the molecular formula C26H34N6O3 and a molecular weight of 478.60 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-4-(3-phenylmethoxypyrrolidin-1-yl)-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-4-(3-phenylmethoxypyrrolidin-1-yl)-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one
PubChem CID68721916
Molecular FormulaC26H34N6O3
Molecular Weight478.60 g/mol
Exact Mass478.27
IUPAC Name2-(4-acetylpiperazin-1-yl)-4-(3-phenylmethoxypyrrolidin-1-yl)-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one
SMILESCCCN1Cc2c(nc(N3CCN(C(C)=O)CC3)nc2N2CCC(OCc3ccccc3)C2)C1=O
InChIInChI=1S/C26H34N6O3/c1-3-10-32-17-22-23(25(32)34)27-26(30-14-12-29(13-15-30)19(2)33)28-24(22)31-11-9-21(16-31)35-18-20-7-5-4-6-8-20/h4-8,21H,3,9-18H2,1-2H3
InChIKeyFGLHBJCBISVRHG-UHFFFAOYSA-N
XLogP2.31
TPSA82.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-acetylpiperazin-1-yl)-4-[(4-methylphenyl)methylamino]-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 68723360
2-(4-acetylpiperazin-1-yl)-6-propyl-4-(quinolin-4-ylmethylamino)-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 68722357
2-(4-acetylpiperazin-1-yl)-4-(2-methoxypropylamino)-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 68723294
1-[7-oxo-6-propyl-4-(quinolin-3-ylmethylamino)-5H-pyrrolo[3,4-d]pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 68724014
6-benzyl-2,4-dimorpholin-4-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 57431755
(2R)-1-[2-(4-acetylpiperazin-1-yl)-7-oxo-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-4-yl]-N-benzyl-N-methylpyrrolidine-2-carboxamide
CID 57499923
3-azabicyclo[3.2.2]nonan-3-yl-[4-(3-phenylmethoxypyrrolidin-1-yl)phenyl]methanone
CID 24957914
N-[(1-acetylpiperidin-4-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide
CID 136524004
(3-methyl-1-propylpyrazol-4-yl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 70752342
2-(4-phenylmethoxypiperidin-1-yl)pyrimidine
CID 95811444
2-(4-acetylpiperazin-1-yl)-4-[2-[(3-chlorophenyl)methyl]pyrrolidin-1-yl]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 25122219
N-methyl-4-phenylmethoxypiperidine-1-carboxamide
CID 131216132

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-4-(3-phenylmethoxypyrrolidin-1-yl)-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-4-(3-phenylmethoxypyrrolidin-1-yl)-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one (CID 68721916) is 2-(4-acetylpiperazin-1-yl)-4-(3-phenylmethoxypyrrolidin-1-yl)-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-4-(3-phenylmethoxypyrrolidin-1-yl)-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-4-(3-phenylmethoxypyrrolidin-1-yl)-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one is CCCN1Cc2c(nc(N3CCN(C(C)=O)CC3)nc2N2CCC(OCc3ccccc3)C2)C1=O.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-4-(3-phenylmethoxypyrrolidin-1-yl)-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one?
The InChIKey is FGLHBJCBISVRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O3/c1-3-10-32-17-22-23(25(32)34)27-26(30-14-12-29(13-15-30)19(2)33)28-24(22)31-11-9-21(16-31)35-18-20-7-5-4-6-8-20/h4-8,21H,3,9-18H2,1-2H3.
What are the key properties of 2-(4-acetylpiperazin-1-yl)-4-(3-phenylmethoxypyrrolidin-1-yl)-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one?
2-(4-acetylpiperazin-1-yl)-4-(3-phenylmethoxypyrrolidin-1-yl)-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one has a molecular weight of 478.60 g/mol, XLogP of 2.31, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-4-(3-phenylmethoxypyrrolidin-1-yl)-6-propyl-5H-pyrrolo[3,4-d]pyrimidin-7-one is sourced from PubChem (CID 68721916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).