N-[5-[(2S)-2-hydroxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]furan-2-carboxamide

C18H16N4O4 — CID 46911329

IUPACN-[5-[(2S)-2-hydroxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]furan-2-carboxamide
SMILESO=C(Nc1n[nH]c2c1CN(C(=O)[C@@H](O)c1ccccc1)C2)c1ccco1
InChIInChI=1S/C18H16N4O4/c23-15(11-5-2-1-3-6-11)18(25)22-9-12-13(10-22)20-21-16(12)19-17(24)14-7-4-8-26-14/h1-8,15,23H,9-10H2,(H2,19,20,21,24)/t15-/m0/s1
InChIKeyPLJIHYQQUOFHDV-HNNXBMFYSA-N
MW352.35 g/mol
LogP1.83
Rot. Bonds4

About N-[5-[(2S)-2-hydroxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]furan-2-carboxamide

N-[5-[(2S)-2-hydroxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]furan-2-carboxamide (PubChem CID 46911329) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is N-[5-[(2S)-2-hydroxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(2S)-2-hydroxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]furan-2-carboxamide
PubChem CID46911329
Molecular FormulaC18H16N4O4
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC NameN-[5-[(2S)-2-hydroxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]furan-2-carboxamide
SMILESO=C(Nc1n[nH]c2c1CN(C(=O)[C@@H](O)c1ccccc1)C2)c1ccco1
InChIInChI=1S/C18H16N4O4/c23-15(11-5-2-1-3-6-11)18(25)22-9-12-13(10-22)20-21-16(12)19-17(24)14-7-4-8-26-14/h1-8,15,23H,9-10H2,(H2,19,20,21,24)/t15-/m0/s1
InChIKeyPLJIHYQQUOFHDV-HNNXBMFYSA-N
XLogP1.83
TPSA111.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[5-[(2S)-2-hydroxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]furan-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2S)-2-hydroxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[(2S)-2-hydroxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]furan-2-carboxamide (CID 46911329) is N-[5-[(2S)-2-hydroxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[(2S)-2-hydroxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[(2S)-2-hydroxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]furan-2-carboxamide is O=C(Nc1n[nH]c2c1CN(C(=O)[C@@H](O)c1ccccc1)C2)c1ccco1.
What is the InChIKey of N-[5-[(2S)-2-hydroxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]furan-2-carboxamide?
The InChIKey is PLJIHYQQUOFHDV-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H16N4O4/c23-15(11-5-2-1-3-6-11)18(25)22-9-12-13(10-22)20-21-16(12)19-17(24)14-7-4-8-26-14/h1-8,15,23H,9-10H2,(H2,19,20,21,24)/t15-/m0/s1.
What are the key properties of N-[5-[(2S)-2-hydroxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]furan-2-carboxamide?
N-[5-[(2S)-2-hydroxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]furan-2-carboxamide has a molecular weight of 352.35 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2S)-2-hydroxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]furan-2-carboxamide is sourced from PubChem (CID 46911329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).