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

C26H33Cl2N7O3 — CID 21222164

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

2-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]propan-2-yl]-2-methylpropanamide;dihydrochloride (PubChem CID 21222164) has the molecular formula C26H33Cl2N7O3 and a molecular weight of 562.50 g/mol. Its IUPAC name is 2-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]propan-2-yl]-2-methylpropanamide;dihydrochloride.

Molecular Properties

• Compound Name: 2-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]propan-2-yl]-2-methylpropanamide;dihydrochloride
• PubChem CID: 21222164
• Molecular Formula: C26H33Cl2N7O3
• Molecular Weight: 562.50 g/mol
• Exact Mass: 561.20
• IUPAC Name: 2-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]propan-2-yl]-2-methylpropanamide;dihydrochloride
• SMILES: CC(C)(N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCC(n2c(=O)[nH]c3cnccc32)CC1.Cl.Cl
• InChI: InChI=1S/C26H31N7O3.2ClH/c1-26(2,27)24(35)30-20(13-16-14-29-19-6-4-3-5-18(16)19)23(34)32-11-8-17(9-12-32)33-22-7-10-28-15-21(22)31-25(33)36;;/h3-7,10,14-15,17,20,29H,8-9,11-13,27H2,1-2H3,(H,30,35)(H,31,36);2*1H
• InChIKey: FPBCVMKYNQDEIN-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 141.90 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.50
LogP ≤ 5	2.68
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-3H-imidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]propan-2-yl]-2-methylpropanamide;dihydrochloride?

The IUPAC name of 2-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]propan-2-yl]-2-methylpropanamide;dihydrochloride (CID 21222164) is 2-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]propan-2-yl]-2-methylpropanamide;dihydrochloride.

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

The canonical SMILES for 2-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]propan-2-yl]-2-methylpropanamide;dihydrochloride is CC(C)(N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCC(n2c(=O)[nH]c3cnccc32)CC1.Cl.Cl.

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

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

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

2-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]propan-2-yl]-2-methylpropanamide;dihydrochloride has a molecular weight of 562.50 g/mol, XLogP of 2.68, 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-3H-imidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]propan-2-yl]-2-methylpropanamide;dihydrochloride is sourced from PubChem (CID 21222164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).