N-[(2R)-1-[(3aR)-4-methyl-3-oxo-3a-pyridin-2-yl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-[(3-chlorophenyl)methoxy]-1-oxopropan-2-yl]-2-amino-2-methylpropanamide

C28H32ClF3N6O4 — CID 71146978

About N-[(2R)-1-[(3aR)-4-methyl-3-oxo-3a-pyridin-2-yl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-[(3-chlorophenyl)methoxy]-1-oxopropan-2-yl]-2-amino-2-methylpropanamide

N-[(2R)-1-[(3aR)-4-methyl-3-oxo-3a-pyridin-2-yl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-[(3-chlorophenyl)methoxy]-1-oxopropan-2-yl]-2-amino-2-methylpropanamide (PubChem CID 71146978) has the molecular formula C28H32ClF3N6O4 and a molecular weight of 609.05 g/mol. Its IUPAC name is N-[(2R)-1-[(3aR)-4-methyl-3-oxo-3a-pyridin-2-yl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-[(3-chlorophenyl)methoxy]-1-oxopropan-2-yl]-2-amino-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[(2R)-1-[(3aR)-4-methyl-3-oxo-3a-pyridin-2-yl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-[(3-chlorophenyl)methoxy]-1-oxopropan-2-yl]-2-amino-2-methylpropanamide
• PubChem CID: 71146978
• Molecular Formula: C28H32ClF3N6O4
• Molecular Weight: 609.05 g/mol
• Exact Mass: 608.21
• IUPAC Name: N-[(2R)-1-[(3aR)-4-methyl-3-oxo-3a-pyridin-2-yl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-[(3-chlorophenyl)methoxy]-1-oxopropan-2-yl]-2-amino-2-methylpropanamide
• SMILES: CC1N(C(=O)[C@@H](COCc2cccc(Cl)c2)NC(=O)C(C)(C)N)CCC2=NN(CC(F)(F)F)C(=O)[C@]21c1ccccn1
• InChI: InChI=1S/C28H32ClF3N6O4/c1-17-28(21-9-4-5-11-34-21)22(36-38(25(28)41)16-27(30,31)32)10-12-37(17)23(39)20(35-24(40)26(2,3)33)15-42-14-18-7-6-8-19(29)13-18/h4-9,11,13,17,20H,10,12,14-16,33H2,1-3H3,(H,35,40)/t17?,20-,28-/m1/s1
• InChIKey: SHRXCVBMTWHKGH-SNOWJEJUSA-N
• XLogP: 2.79
• TPSA: 130.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	609.05
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(3aR)-4-methyl-3-oxo-3a-pyridin-2-yl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-[(3-chlorophenyl)methoxy]-1-oxopropan-2-yl]-2-amino-2-methylpropanamide?

The IUPAC name of N-[(2R)-1-[(3aR)-4-methyl-3-oxo-3a-pyridin-2-yl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-[(3-chlorophenyl)methoxy]-1-oxopropan-2-yl]-2-amino-2-methylpropanamide (CID 71146978) is N-[(2R)-1-[(3aR)-4-methyl-3-oxo-3a-pyridin-2-yl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-[(3-chlorophenyl)methoxy]-1-oxopropan-2-yl]-2-amino-2-methylpropanamide.

What is the SMILES notation for N-[(2R)-1-[(3aR)-4-methyl-3-oxo-3a-pyridin-2-yl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-[(3-chlorophenyl)methoxy]-1-oxopropan-2-yl]-2-amino-2-methylpropanamide?

The canonical SMILES for N-[(2R)-1-[(3aR)-4-methyl-3-oxo-3a-pyridin-2-yl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-[(3-chlorophenyl)methoxy]-1-oxopropan-2-yl]-2-amino-2-methylpropanamide is CC1N(C(=O)[C@@H](COCc2cccc(Cl)c2)NC(=O)C(C)(C)N)CCC2=NN(CC(F)(F)F)C(=O)[C@]21c1ccccn1.

What is the InChIKey of N-[(2R)-1-[(3aR)-4-methyl-3-oxo-3a-pyridin-2-yl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-[(3-chlorophenyl)methoxy]-1-oxopropan-2-yl]-2-amino-2-methylpropanamide?

The InChIKey is SHRXCVBMTWHKGH-SNOWJEJUSA-N. The full InChI is InChI=1S/C28H32ClF3N6O4/c1-17-28(21-9-4-5-11-34-21)22(36-38(25(28)41)16-27(30,31)32)10-12-37(17)23(39)20(35-24(40)26(2,3)33)15-42-14-18-7-6-8-19(29)13-18/h4-9,11,13,17,20H,10,12,14-16,33H2,1-3H3,(H,35,40)/t17?,20-,28-/m1/s1.

What are the key properties of N-[(2R)-1-[(3aR)-4-methyl-3-oxo-3a-pyridin-2-yl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-[(3-chlorophenyl)methoxy]-1-oxopropan-2-yl]-2-amino-2-methylpropanamide?

N-[(2R)-1-[(3aR)-4-methyl-3-oxo-3a-pyridin-2-yl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-[(3-chlorophenyl)methoxy]-1-oxopropan-2-yl]-2-amino-2-methylpropanamide has a molecular weight of 609.05 g/mol, XLogP of 2.79, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-[(3aR)-4-methyl-3-oxo-3a-pyridin-2-yl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-[(3-chlorophenyl)methoxy]-1-oxopropan-2-yl]-2-amino-2-methylpropanamide is sourced from PubChem (CID 71146978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).