N-[4-[5-(3-amino-2-phenylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]phenyl]acetamide

C22H23N5O2 — CID 11222993

IUPACN-[4-[5-(3-amino-2-phenylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2n[nH]c3c2CN(C(=O)C(CN)c2ccccc2)C3)cc1
InChIInChI=1S/C22H23N5O2/c1-14(28)24-17-9-7-16(8-10-17)21-19-12-27(13-20(19)25-26-21)22(29)18(11-23)15-5-3-2-4-6-15/h2-10,18H,11-13,23H2,1H3,(H,24,28)(H,25,26)
InChIKeyOBBHWCXBYPAUQH-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.62
Rot. Bonds5

About N-[4-[5-(3-amino-2-phenylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]phenyl]acetamide

N-[4-[5-(3-amino-2-phenylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]phenyl]acetamide (PubChem CID 11222993) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[4-[5-(3-amino-2-phenylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-(3-amino-2-phenylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]phenyl]acetamide
PubChem CID11222993
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-[4-[5-(3-amino-2-phenylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2n[nH]c3c2CN(C(=O)C(CN)c2ccccc2)C3)cc1
InChIInChI=1S/C22H23N5O2/c1-14(28)24-17-9-7-16(8-10-17)21-19-12-27(13-20(19)25-26-21)22(29)18(11-23)15-5-3-2-4-6-15/h2-10,18H,11-13,23H2,1H3,(H,24,28)(H,25,26)
InChIKeyOBBHWCXBYPAUQH-UHFFFAOYSA-N
XLogP2.62
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-[5-(3-amino-2-phenylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]phenyl]acetamide 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-[4-[5-(3-amino-2-phenylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[5-(3-amino-2-phenylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]phenyl]acetamide (CID 11222993) is N-[4-[5-(3-amino-2-phenylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[5-(3-amino-2-phenylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[5-(3-amino-2-phenylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2n[nH]c3c2CN(C(=O)C(CN)c2ccccc2)C3)cc1.
What is the InChIKey of N-[4-[5-(3-amino-2-phenylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]phenyl]acetamide?
The InChIKey is OBBHWCXBYPAUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-14(28)24-17-9-7-16(8-10-17)21-19-12-27(13-20(19)25-26-21)22(29)18(11-23)15-5-3-2-4-6-15/h2-10,18H,11-13,23H2,1H3,(H,24,28)(H,25,26).
What are the key properties of N-[4-[5-(3-amino-2-phenylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]phenyl]acetamide?
N-[4-[5-(3-amino-2-phenylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]phenyl]acetamide has a molecular weight of 389.46 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(3-amino-2-phenylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 11222993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).