2-amino-N-[1-(2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide

C28H32N6O3 — CID 22557151

About 2-amino-N-[1-(2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide

2-amino-N-[1-(2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide (PubChem CID 22557151) has the molecular formula C28H32N6O3 and a molecular weight of 500.60 g/mol. Its IUPAC name is 2-amino-N-[1-(2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide.

Molecular Properties

• Compound Name: 2-amino-N-[1-(2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
• PubChem CID: 22557151
• Molecular Formula: C28H32N6O3
• Molecular Weight: 500.60 g/mol
• Exact Mass: 500.25
• IUPAC Name: 2-amino-N-[1-(2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
• SMILES: CC(C)(N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCC2=NN(Cc3ccccc3)C(=O)C2C1
• InChI: InChI=1S/C28H32N6O3/c1-28(2,29)27(37)31-24(14-19-15-30-22-11-7-6-10-20(19)22)26(36)33-13-12-23-21(17-33)25(35)34(32-23)16-18-8-4-3-5-9-18/h3-11,15,21,24,30H,12-14,16-17,29H2,1-2H3,(H,31,37)
• InChIKey: MMZOWQQOSMXPIJ-UHFFFAOYSA-N
• XLogP: 2.18
• TPSA: 123.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.60
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide?

The IUPAC name of 2-amino-N-[1-(2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide (CID 22557151) is 2-amino-N-[1-(2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide.

What is the SMILES notation for 2-amino-N-[1-(2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide?

The canonical SMILES for 2-amino-N-[1-(2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide is CC(C)(N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCC2=NN(Cc3ccccc3)C(=O)C2C1.

What is the InChIKey of 2-amino-N-[1-(2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide?

The InChIKey is MMZOWQQOSMXPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O3/c1-28(2,29)27(37)31-24(14-19-15-30-22-11-7-6-10-20(19)22)26(36)33-13-12-23-21(17-33)25(35)34(32-23)16-18-8-4-3-5-9-18/h3-11,15,21,24,30H,12-14,16-17,29H2,1-2H3,(H,31,37).

What are the key properties of 2-amino-N-[1-(2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide?

2-amino-N-[1-(2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide has a molecular weight of 500.60 g/mol, XLogP of 2.18, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[1-(2-benzyl-3-oxo-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 22557151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).