2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-[[1-[2-(4-methylpiperidin-1-yl)-1-naphthalen-2-yl-2-oxoethyl]imidazol-4-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide;dihydrochloride

C36H43Cl2N7O3 — CID 20598880

About 2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-[[1-[2-(4-methylpiperidin-1-yl)-1-naphthalen-2-yl-2-oxoethyl]imidazol-4-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide;dihydrochloride

2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-[[1-[2-(4-methylpiperidin-1-yl)-1-naphthalen-2-yl-2-oxoethyl]imidazol-4-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide;dihydrochloride (PubChem CID 20598880) has the molecular formula C36H43Cl2N7O3 and a molecular weight of 692.69 g/mol. Its IUPAC name is 2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-[[1-[2-(4-methylpiperidin-1-yl)-1-naphthalen-2-yl-2-oxoethyl]imidazol-4-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide;dihydrochloride.

Molecular Properties

• Compound Name: 2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-[[1-[2-(4-methylpiperidin-1-yl)-1-naphthalen-2-yl-2-oxoethyl]imidazol-4-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide;dihydrochloride
• PubChem CID: 20598880
• Molecular Formula: C36H43Cl2N7O3
• Molecular Weight: 692.69 g/mol
• Exact Mass: 691.28
• IUPAC Name: 2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-[[1-[2-(4-methylpiperidin-1-yl)-1-naphthalen-2-yl-2-oxoethyl]imidazol-4-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide;dihydrochloride
• SMILES: CC1CCN(C(=O)C(c2ccc3ccccc3c2)n2cnc(NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)C(C)(C)N)c2)CC1.Cl.Cl
• InChI: InChI=1S/C36H41N7O3.2ClH/c1-23-14-16-42(17-15-23)34(45)32(26-13-12-24-8-4-5-9-25(24)18-26)43-21-31(39-22-43)41-33(44)30(40-35(46)36(2,3)37)19-27-20-38-29-11-7-6-10-28(27)29;;/h4-13,18,20-23,30,32,38H,14-17,19,37H2,1-3H3,(H,40,46)(H,41,44);2*1H/t30-,32?;;/m1../s1
• InChIKey: NASSKHWJWUVBEF-SXHZMTLWSA-N
• XLogP: 5.61
• TPSA: 138.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	692.69
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-[[1-[2-(4-methylpiperidin-1-yl)-1-naphthalen-2-yl-2-oxoethyl]imidazol-4-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide;dihydrochloride?

The IUPAC name of 2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-[[1-[2-(4-methylpiperidin-1-yl)-1-naphthalen-2-yl-2-oxoethyl]imidazol-4-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide;dihydrochloride (CID 20598880) is 2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-[[1-[2-(4-methylpiperidin-1-yl)-1-naphthalen-2-yl-2-oxoethyl]imidazol-4-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide;dihydrochloride.

What is the SMILES notation for 2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-[[1-[2-(4-methylpiperidin-1-yl)-1-naphthalen-2-yl-2-oxoethyl]imidazol-4-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide;dihydrochloride?

The canonical SMILES for 2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-[[1-[2-(4-methylpiperidin-1-yl)-1-naphthalen-2-yl-2-oxoethyl]imidazol-4-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide;dihydrochloride is CC1CCN(C(=O)C(c2ccc3ccccc3c2)n2cnc(NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)C(C)(C)N)c2)CC1.Cl.Cl.

What is the InChIKey of 2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-[[1-[2-(4-methylpiperidin-1-yl)-1-naphthalen-2-yl-2-oxoethyl]imidazol-4-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide;dihydrochloride?

The InChIKey is NASSKHWJWUVBEF-SXHZMTLWSA-N. The full InChI is InChI=1S/C36H41N7O3.2ClH/c1-23-14-16-42(17-15-23)34(45)32(26-13-12-24-8-4-5-9-25(24)18-26)43-21-31(39-22-43)41-33(44)30(40-35(46)36(2,3)37)19-27-20-38-29-11-7-6-10-28(27)29;;/h4-13,18,20-23,30,32,38H,14-17,19,37H2,1-3H3,(H,40,46)(H,41,44);2*1H/t30-,32?;;/m1../s1.

What are the key properties of 2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-[[1-[2-(4-methylpiperidin-1-yl)-1-naphthalen-2-yl-2-oxoethyl]imidazol-4-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide;dihydrochloride?

2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-[[1-[2-(4-methylpiperidin-1-yl)-1-naphthalen-2-yl-2-oxoethyl]imidazol-4-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide;dihydrochloride has a molecular weight of 692.69 g/mol, XLogP of 5.61, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-[[1-[2-(4-methylpiperidin-1-yl)-1-naphthalen-2-yl-2-oxoethyl]imidazol-4-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide;dihydrochloride is sourced from PubChem (CID 20598880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).