2-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]propan-2-yl]-2-methylpropanamide;hydrochloride

C26H32ClN7O3 — CID 21222007

About 2-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]propan-2-yl]-2-methylpropanamide;hydrochloride

2-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]propan-2-yl]-2-methylpropanamide;hydrochloride (PubChem CID 21222007) has the molecular formula C26H32ClN7O3 and a molecular weight of 526.04 g/mol. Its IUPAC name is 2-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]propan-2-yl]-2-methylpropanamide;hydrochloride.

Molecular Properties

• Compound Name: 2-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]propan-2-yl]-2-methylpropanamide;hydrochloride
• PubChem CID: 21222007
• Molecular Formula: C26H32ClN7O3
• Molecular Weight: 526.04 g/mol
• Exact Mass: 525.23
• IUPAC Name: 2-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]propan-2-yl]-2-methylpropanamide;hydrochloride
• SMILES: CC(C)(N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCC(n2c(=O)[nH]c3cccnc32)CC1.Cl
• InChI: InChI=1S/C26H31N7O3.ClH/c1-26(2,27)24(35)30-21(14-16-15-29-19-7-4-3-6-18(16)19)23(34)32-12-9-17(10-13-32)33-22-20(31-25(33)36)8-5-11-28-22;/h3-8,11,15,17,21,29H,9-10,12-14,27H2,1-2H3,(H,30,35)(H,31,36);1H
• InChIKey: KTUZRPVZDRDQCB-UHFFFAOYSA-N
• XLogP: 2.26
• TPSA: 141.90 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.04
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]propan-2-yl]-2-methylpropanamide;hydrochloride?

The IUPAC name of 2-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]propan-2-yl]-2-methylpropanamide;hydrochloride (CID 21222007) is 2-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]propan-2-yl]-2-methylpropanamide;hydrochloride.

What is the SMILES notation for 2-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]propan-2-yl]-2-methylpropanamide;hydrochloride?

The canonical SMILES for 2-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]propan-2-yl]-2-methylpropanamide;hydrochloride is CC(C)(N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCC(n2c(=O)[nH]c3cccnc32)CC1.Cl.

What is the InChIKey of 2-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]propan-2-yl]-2-methylpropanamide;hydrochloride?

The InChIKey is KTUZRPVZDRDQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O3.ClH/c1-26(2,27)24(35)30-21(14-16-15-29-19-7-4-3-6-18(16)19)23(34)32-12-9-17(10-13-32)33-22-20(31-25(33)36)8-5-11-28-22;/h3-8,11,15,17,21,29H,9-10,12-14,27H2,1-2H3,(H,30,35)(H,31,36);1H.

What are the key properties of 2-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]propan-2-yl]-2-methylpropanamide;hydrochloride?

2-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]propan-2-yl]-2-methylpropanamide;hydrochloride has a molecular weight of 526.04 g/mol, XLogP of 2.26, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]propan-2-yl]-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 21222007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).