(5R)-N-[1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-2-(4-ethylphenyl)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C30H38N6O4 — CID 146417666

About (5R)-N-[1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-2-(4-ethylphenyl)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

(5R)-N-[1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-2-(4-ethylphenyl)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146417666) has the molecular formula C30H38N6O4 and a molecular weight of 546.67 g/mol. Its IUPAC name is (5R)-N-[1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-2-(4-ethylphenyl)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: (5R)-N-[1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-2-(4-ethylphenyl)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146417666
• Molecular Formula: C30H38N6O4
• Molecular Weight: 546.67 g/mol
• Exact Mass: 546.30
• IUPAC Name: (5R)-N-[1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-2-(4-ethylphenyl)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CCc1ccc(C(CC)(NC(=O)c2cnn3c2N[C@@H](c2ccccc2)CC3(C)C)C(=O)N[C@@H](CO)C(N)=O)cc1
• InChI: InChI=1S/C30H38N6O4/c1-5-19-12-14-21(15-13-19)30(6-2,28(40)34-24(18-37)25(31)38)35-27(39)22-17-32-36-26(22)33-23(16-29(36,3)4)20-10-8-7-9-11-20/h7-15,17,23-24,33,37H,5-6,16,18H2,1-4H3,(H2,31,38)(H,34,40)(H,35,39)/t23-,24+,30?/m1/s1
• InChIKey: ZVKUYKBBGYBOJU-JRHAALFUSA-N
• XLogP: 2.74
• TPSA: 151.37 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.67
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (5R)-N-[1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-2-(4-ethylphenyl)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of (5R)-N-[1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-2-(4-ethylphenyl)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146417666) is (5R)-N-[1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-2-(4-ethylphenyl)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for (5R)-N-[1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-2-(4-ethylphenyl)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for (5R)-N-[1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-2-(4-ethylphenyl)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCc1ccc(C(CC)(NC(=O)c2cnn3c2N[C@@H](c2ccccc2)CC3(C)C)C(=O)N[C@@H](CO)C(N)=O)cc1.

What is the InChIKey of (5R)-N-[1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-2-(4-ethylphenyl)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is ZVKUYKBBGYBOJU-JRHAALFUSA-N. The full InChI is InChI=1S/C30H38N6O4/c1-5-19-12-14-21(15-13-19)30(6-2,28(40)34-24(18-37)25(31)38)35-27(39)22-17-32-36-26(22)33-23(16-29(36,3)4)20-10-8-7-9-11-20/h7-15,17,23-24,33,37H,5-6,16,18H2,1-4H3,(H2,31,38)(H,34,40)(H,35,39)/t23-,24+,30?/m1/s1.

What are the key properties of (5R)-N-[1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-2-(4-ethylphenyl)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?

(5R)-N-[1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-2-(4-ethylphenyl)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 546.67 g/mol, XLogP of 2.74, 10 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-N-[1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-2-(4-ethylphenyl)-1-oxobutan-2-yl]-7,7-dimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146417666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).