[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone

C17H17N5O2 — CID 56744876

IUPAC[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone
SMILESO=C(c1cccc(-c2ncc[nH]2)c1)N1Cc2cnn(CCO)c2C1
InChIInChI=1S/C17H17N5O2/c23-7-6-22-15-11-21(10-14(15)9-20-22)17(24)13-3-1-2-12(8-13)16-18-4-5-19-16/h1-5,8-9,23H,6-7,10-11H2,(H,18,19)
InChIKeyPOMZGRWYGCQROY-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.42
Rot. Bonds4

About [1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone

[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone (PubChem CID 56744876) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is [1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone
PubChem CID56744876
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone
SMILESO=C(c1cccc(-c2ncc[nH]2)c1)N1Cc2cnn(CCO)c2C1
InChIInChI=1S/C17H17N5O2/c23-7-6-22-15-11-21(10-14(15)9-20-22)17(24)13-3-1-2-12(8-13)16-18-4-5-19-16/h1-5,8-9,23H,6-7,10-11H2,(H,18,19)
InChIKeyPOMZGRWYGCQROY-UHFFFAOYSA-N
XLogP1.42
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone?
The IUPAC name of [1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone (CID 56744876) is [1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone.
What is the SMILES notation for [1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone?
The canonical SMILES for [1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone is O=C(c1cccc(-c2ncc[nH]2)c1)N1Cc2cnn(CCO)c2C1.
What is the InChIKey of [1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone?
The InChIKey is POMZGRWYGCQROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c23-7-6-22-15-11-21(10-14(15)9-20-22)17(24)13-3-1-2-12(8-13)16-18-4-5-19-16/h1-5,8-9,23H,6-7,10-11H2,(H,18,19).
What are the key properties of [1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone?
[1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone has a molecular weight of 323.36 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-hydroxyethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone is sourced from PubChem (CID 56744876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).