[(5R)-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-[1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone

C27H30N4O — CID 146417662

About [(5R)-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-[1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone

[(5R)-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-[1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone (PubChem CID 146417662) has the molecular formula C27H30N4O and a molecular weight of 426.56 g/mol. Its IUPAC name is [(5R)-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-[1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone.

Molecular Properties

• Compound Name: [(5R)-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-[1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone
• PubChem CID: 146417662
• Molecular Formula: C27H30N4O
• Molecular Weight: 426.56 g/mol
• Exact Mass: 426.24
• IUPAC Name: [(5R)-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-[1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone
• SMILES: Cc1ccc(C23CC2CN(C(=O)c2cnn4c2N[C@@H](c2ccccc2)CC4(C)C)C3)cc1
• InChI: InChI=1S/C27H30N4O/c1-18-9-11-20(12-10-18)27-13-21(27)16-30(17-27)25(32)22-15-28-31-24(22)29-23(14-26(31,2)3)19-7-5-4-6-8-19/h4-12,15,21,23,29H,13-14,16-17H2,1-3H3/t21?,23-,27?/m1/s1
• InChIKey: CPALNCSSQDZGAM-SOSLAKMFSA-N
• XLogP: 4.90
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.56
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [(5R)-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-[1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone?

The IUPAC name of [(5R)-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-[1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone (CID 146417662) is [(5R)-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-[1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone.

What is the SMILES notation for [(5R)-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-[1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone?

The canonical SMILES for [(5R)-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-[1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone is Cc1ccc(C23CC2CN(C(=O)c2cnn4c2N[C@@H](c2ccccc2)CC4(C)C)C3)cc1.

What is the InChIKey of [(5R)-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-[1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone?

The InChIKey is CPALNCSSQDZGAM-SOSLAKMFSA-N. The full InChI is InChI=1S/C27H30N4O/c1-18-9-11-20(12-10-18)27-13-21(27)16-30(17-27)25(32)22-15-28-31-24(22)29-23(14-26(31,2)3)19-7-5-4-6-8-19/h4-12,15,21,23,29H,13-14,16-17H2,1-3H3/t21?,23-,27?/m1/s1.

What are the key properties of [(5R)-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-[1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone?

[(5R)-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-[1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone has a molecular weight of 426.56 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(5R)-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidin-3-yl]-[1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone is sourced from PubChem (CID 146417662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).