N,N,2,2-tetramethyl-N'-[[2-[2-methyl-6-[[1-methyl-7-[5-[(2-methylpropylamino)methyl]-1H-indol-2-yl]-2,3-dihydroimidazo[4,5-b]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl]propane-1,3-diamine

C44H55N11 — CID 142263063

About N,N,2,2-tetramethyl-N'-[[2-[2-methyl-6-[[1-methyl-7-[5-[(2-methylpropylamino)methyl]-1H-indol-2-yl]-2,3-dihydroimidazo[4,5-b]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl]propane-1,3-diamine

N,N,2,2-tetramethyl-N'-[[2-[2-methyl-6-[[1-methyl-7-[5-[(2-methylpropylamino)methyl]-1H-indol-2-yl]-2,3-dihydroimidazo[4,5-b]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl]propane-1,3-diamine (PubChem CID 142263063) has the molecular formula C44H55N11 and a molecular weight of 738.00 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-N'-[[2-[2-methyl-6-[[1-methyl-7-[5-[(2-methylpropylamino)methyl]-1H-indol-2-yl]-2,3-dihydroimidazo[4,5-b]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl]propane-1,3-diamine.

Molecular Properties

• Compound Name: N,N,2,2-tetramethyl-N'-[[2-[2-methyl-6-[[1-methyl-7-[5-[(2-methylpropylamino)methyl]-1H-indol-2-yl]-2,3-dihydroimidazo[4,5-b]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl]propane-1,3-diamine
• PubChem CID: 142263063
• Molecular Formula: C44H55N11
• Molecular Weight: 738.00 g/mol
• Exact Mass: 737.46
• IUPAC Name: N,N,2,2-tetramethyl-N'-[[2-[2-methyl-6-[[1-methyl-7-[5-[(2-methylpropylamino)methyl]-1H-indol-2-yl]-2,3-dihydroimidazo[4,5-b]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl]propane-1,3-diamine
• SMILES: Cc1nc2ncc(CC3Nc4nccc(-c5cc6cc(CNCC(C)C)ccc6[nH]5)c4N3C)c(-c3cc4cc(CNCC(C)(C)CN(C)C)ccc4[nH]3)c2[nH]1
• InChI: InChI=1S/C44H55N11/c1-26(2)20-45-21-28-9-11-34-30(15-28)17-36(51-34)33-13-14-47-43-41(33)55(8)38(53-43)19-32-23-48-42-40(49-27(3)50-42)39(32)37-18-31-16-29(10-12-35(31)52-37)22-46-24-44(4,5)25-54(6)7/h9-18,23,26,38,45-46,51-52H,19-22,24-25H2,1-8H3,(H,47,53)(H,48,49,50)
• InChIKey: NRCVOLAGCPIETP-UHFFFAOYSA-N
• XLogP: 7.81
• TPSA: 128.61 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	738.00
LogP ≤ 5	7.81
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-N'-[[2-[2-methyl-6-[[1-methyl-7-[5-[(2-methylpropylamino)methyl]-1H-indol-2-yl]-2,3-dihydroimidazo[4,5-b]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl]propane-1,3-diamine?

The IUPAC name of N,N,2,2-tetramethyl-N'-[[2-[2-methyl-6-[[1-methyl-7-[5-[(2-methylpropylamino)methyl]-1H-indol-2-yl]-2,3-dihydroimidazo[4,5-b]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl]propane-1,3-diamine (CID 142263063) is N,N,2,2-tetramethyl-N'-[[2-[2-methyl-6-[[1-methyl-7-[5-[(2-methylpropylamino)methyl]-1H-indol-2-yl]-2,3-dihydroimidazo[4,5-b]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl]propane-1,3-diamine.

What is the SMILES notation for N,N,2,2-tetramethyl-N'-[[2-[2-methyl-6-[[1-methyl-7-[5-[(2-methylpropylamino)methyl]-1H-indol-2-yl]-2,3-dihydroimidazo[4,5-b]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl]propane-1,3-diamine?

The canonical SMILES for N,N,2,2-tetramethyl-N'-[[2-[2-methyl-6-[[1-methyl-7-[5-[(2-methylpropylamino)methyl]-1H-indol-2-yl]-2,3-dihydroimidazo[4,5-b]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl]propane-1,3-diamine is Cc1nc2ncc(CC3Nc4nccc(-c5cc6cc(CNCC(C)C)ccc6[nH]5)c4N3C)c(-c3cc4cc(CNCC(C)(C)CN(C)C)ccc4[nH]3)c2[nH]1.

What is the InChIKey of N,N,2,2-tetramethyl-N'-[[2-[2-methyl-6-[[1-methyl-7-[5-[(2-methylpropylamino)methyl]-1H-indol-2-yl]-2,3-dihydroimidazo[4,5-b]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl]propane-1,3-diamine?

The InChIKey is NRCVOLAGCPIETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H55N11/c1-26(2)20-45-21-28-9-11-34-30(15-28)17-36(51-34)33-13-14-47-43-41(33)55(8)38(53-43)19-32-23-48-42-40(49-27(3)50-42)39(32)37-18-31-16-29(10-12-35(31)52-37)22-46-24-44(4,5)25-54(6)7/h9-18,23,26,38,45-46,51-52H,19-22,24-25H2,1-8H3,(H,47,53)(H,48,49,50).

What are the key properties of N,N,2,2-tetramethyl-N'-[[2-[2-methyl-6-[[1-methyl-7-[5-[(2-methylpropylamino)methyl]-1H-indol-2-yl]-2,3-dihydroimidazo[4,5-b]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl]propane-1,3-diamine?

N,N,2,2-tetramethyl-N'-[[2-[2-methyl-6-[[1-methyl-7-[5-[(2-methylpropylamino)methyl]-1H-indol-2-yl]-2,3-dihydroimidazo[4,5-b]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl]propane-1,3-diamine has a molecular weight of 738.00 g/mol, XLogP of 7.81, 14 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N,N,2,2-tetramethyl-N'-[[2-[2-methyl-6-[[1-methyl-7-[5-[(2-methylpropylamino)methyl]-1H-indol-2-yl]-2,3-dihydroimidazo[4,5-b]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-yl]-1H-indol-5-yl]methyl]propane-1,3-diamine is sourced from PubChem (CID 142263063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).