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

C32H41N5O3 — CID 150167964

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

(5R)-N-[(2R)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-(4-ethylphenyl)-1-oxobutan-2-yl]-2,7,7-trimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 150167964) has the molecular formula C32H41N5O3 and a molecular weight of 543.71 g/mol. Its IUPAC name is (5R)-N-[(2R)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-(4-ethylphenyl)-1-oxobutan-2-yl]-2,7,7-trimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (5R)-N-[(2R)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-(4-ethylphenyl)-1-oxobutan-2-yl]-2,7,7-trimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 150167964
• Molecular Formula: C32H41N5O3
• Molecular Weight: 543.71 g/mol
• Exact Mass: 543.32
• IUPAC Name: (5R)-N-[(2R)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-(4-ethylphenyl)-1-oxobutan-2-yl]-2,7,7-trimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: CCc1ccc([C@@](CC)(NC(=O)c2c(C)nn3c2C[C@H](c2ccccc2)CC3(C)C)C(=O)N[C@@H](C)C(N)=O)cc1
• InChI: InChI=1S/C32H41N5O3/c1-7-22-14-16-25(17-15-22)32(8-2,30(40)34-21(4)28(33)38)35-29(39)27-20(3)36-37-26(27)18-24(19-31(37,5)6)23-12-10-9-11-13-23/h9-17,21,24H,7-8,18-19H2,1-6H3,(H2,33,38)(H,34,40)(H,35,39)/t21-,24-,32+/m0/s1
• InChIKey: FIUMJFCDSUOYJF-QHINENQFSA-N
• XLogP: 4.24
• TPSA: 119.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.71
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (5R)-N-[(2R)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-(4-ethylphenyl)-1-oxobutan-2-yl]-2,7,7-trimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-3-carboxamide (CID 150167964) is (5R)-N-[(2R)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-(4-ethylphenyl)-1-oxobutan-2-yl]-2,7,7-trimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-3-carboxamide.

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

The canonical SMILES for (5R)-N-[(2R)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-(4-ethylphenyl)-1-oxobutan-2-yl]-2,7,7-trimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-3-carboxamide is CCc1ccc([C@@](CC)(NC(=O)c2c(C)nn3c2C[C@H](c2ccccc2)CC3(C)C)C(=O)N[C@@H](C)C(N)=O)cc1.

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

The InChIKey is FIUMJFCDSUOYJF-QHINENQFSA-N. The full InChI is InChI=1S/C32H41N5O3/c1-7-22-14-16-25(17-15-22)32(8-2,30(40)34-21(4)28(33)38)35-29(39)27-20(3)36-37-26(27)18-24(19-31(37,5)6)23-12-10-9-11-13-23/h9-17,21,24H,7-8,18-19H2,1-6H3,(H2,33,38)(H,34,40)(H,35,39)/t21-,24-,32+/m0/s1.

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

(5R)-N-[(2R)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-(4-ethylphenyl)-1-oxobutan-2-yl]-2,7,7-trimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 543.71 g/mol, XLogP of 4.24, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-N-[(2R)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-(4-ethylphenyl)-1-oxobutan-2-yl]-2,7,7-trimethyl-5-phenyl-5,6-dihydro-4H-pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 150167964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).