3-(1H-benzimidazol-2-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]propan-1-one

C17H19N5O2 — CID 56752949

IUPAC3-(1H-benzimidazol-2-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]propan-1-one
SMILESO=C(CCc1nc2ccccc2[nH]1)N1Cc2cnn(CCO)c2C1
InChIInChI=1S/C17H19N5O2/c23-8-7-22-15-11-21(10-12(15)9-18-22)17(24)6-5-16-19-13-3-1-2-4-14(13)20-16/h1-4,9,23H,5-8,10-11H2,(H,19,20)
InChIKeyKFBBHPUPJVLULC-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.23
Rot. Bonds5

About 3-(1H-benzimidazol-2-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]propan-1-one

3-(1H-benzimidazol-2-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]propan-1-one (PubChem CID 56752949) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]propan-1-one.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]propan-1-one
PubChem CID56752949
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name3-(1H-benzimidazol-2-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]propan-1-one
SMILESO=C(CCc1nc2ccccc2[nH]1)N1Cc2cnn(CCO)c2C1
InChIInChI=1S/C17H19N5O2/c23-8-7-22-15-11-21(10-12(15)9-18-22)17(24)6-5-16-19-13-3-1-2-4-14(13)20-16/h1-4,9,23H,5-8,10-11H2,(H,19,20)
InChIKeyKFBBHPUPJVLULC-UHFFFAOYSA-N
XLogP1.23
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(1H-benzimidazol-2-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1H-benzimidazol-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 18145539
3-(1H-benzimidazol-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 17492856
3-(1H-benzimidazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one
CID 17446698
(3S)-3-(4-fluorophenyl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-3-phenylpropan-1-one
CID 99930935
8-[3-(1H-benzimidazol-2-yl)propanoyl]-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72849590
3-(1H-benzimidazol-2-yl)-1-[(3R,4R)-3-(hydroxymethyl)-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 72937446
3-(1H-benzimidazol-2-yl)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 154735503
3-(1H-benzimidazol-2-yl)-1-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]propan-1-one
CID 55849763
3-(1H-benzimidazol-2-yl)-1-[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 125008568
1-[3-(1H-benzimidazol-2-yl)propanoyl]pyrrolidine-3-sulfonamide
CID 154738785
3-(1H-benzimidazol-2-yl)-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propan-1-one
CID 17468527
3-(1H-benzimidazol-2-yl)-1-[2-(1,2-dihydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one
CID 91766723

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]propan-1-one?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]propan-1-one (CID 56752949) is 3-(1H-benzimidazol-2-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]propan-1-one.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]propan-1-one?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]propan-1-one is O=C(CCc1nc2ccccc2[nH]1)N1Cc2cnn(CCO)c2C1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]propan-1-one?
The InChIKey is KFBBHPUPJVLULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c23-8-7-22-15-11-21(10-12(15)9-18-22)17(24)6-5-16-19-13-3-1-2-4-14(13)20-16/h1-4,9,23H,5-8,10-11H2,(H,19,20).
What are the key properties of 3-(1H-benzimidazol-2-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]propan-1-one?
3-(1H-benzimidazol-2-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]propan-1-one has a molecular weight of 325.37 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-1-[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]propan-1-one is sourced from PubChem (CID 56752949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).