N-[[(6R)-4-(4-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-yl]methyl]prop-2-enamide

C22H22N4O — CID 175945457

IUPACN-[[(6R)-4-(4-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-yl]methyl]prop-2-enamide
SMILESC=CC(=O)NC[C@@H]1CN(c2ccc(-c3ccccc3)cc2)c2ccnn2C1
InChIInChI=1S/C22H22N4O/c1-2-21(27)23-14-17-15-25(22-12-13-24-26(22)16-17)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h2-13,17H,1,14-16H2,(H,23,27)/t17-/m1/s1
InChIKeyABLUJTGPGVTTHW-QGZVFWFLSA-N
MW358.45 g/mol
LogP3.62
Rot. Bonds5

About N-[[(6R)-4-(4-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-yl]methyl]prop-2-enamide

N-[[(6R)-4-(4-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-yl]methyl]prop-2-enamide (PubChem CID 175945457) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[[(6R)-4-(4-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-yl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[(6R)-4-(4-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-yl]methyl]prop-2-enamide
PubChem CID175945457
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC NameN-[[(6R)-4-(4-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-yl]methyl]prop-2-enamide
SMILESC=CC(=O)NC[C@@H]1CN(c2ccc(-c3ccccc3)cc2)c2ccnn2C1
InChIInChI=1S/C22H22N4O/c1-2-21(27)23-14-17-15-25(22-12-13-24-26(22)16-17)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h2-13,17H,1,14-16H2,(H,23,27)/t17-/m1/s1
InChIKeyABLUJTGPGVTTHW-QGZVFWFLSA-N
XLogP3.62
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[[(6R)-4-(4-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-yl]methyl]prop-2-enamide 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-[[(6R)-4-(4-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-yl]methyl]prop-2-enamide?
The IUPAC name of N-[[(6R)-4-(4-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-yl]methyl]prop-2-enamide (CID 175945457) is N-[[(6R)-4-(4-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-yl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[(6R)-4-(4-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-yl]methyl]prop-2-enamide?
The canonical SMILES for N-[[(6R)-4-(4-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-yl]methyl]prop-2-enamide is C=CC(=O)NC[C@@H]1CN(c2ccc(-c3ccccc3)cc2)c2ccnn2C1.
What is the InChIKey of N-[[(6R)-4-(4-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-yl]methyl]prop-2-enamide?
The InChIKey is ABLUJTGPGVTTHW-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H22N4O/c1-2-21(27)23-14-17-15-25(22-12-13-24-26(22)16-17)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h2-13,17H,1,14-16H2,(H,23,27)/t17-/m1/s1.
What are the key properties of N-[[(6R)-4-(4-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-yl]methyl]prop-2-enamide?
N-[[(6R)-4-(4-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-yl]methyl]prop-2-enamide has a molecular weight of 358.45 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(6R)-4-(4-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-yl]methyl]prop-2-enamide is sourced from PubChem (CID 175945457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).