5-imidazo[1,2-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,5-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-thiophen-3-ylphenol

C75H82N22O3S — CID 160651637

IUPAC5-imidazo[1,2-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,5-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-thiophen-3-ylphenol
SMILESCC1(C)CC(n2nnc3cc(-c4ccc(-c5ccn6ccnc6c5)cc4O)nnc32)CC(C)(C)N1.CC1(C)CC(n2nnc3cc(-c4ccc(-c5ccn6cncc6c5)cc4O)nnc32)CC(C)(C)N1.CC1(C)CC(n2nnc3cc(-c4ccc(-c5ccsc5)cc4O)nnc32)CC(C)(C)N1
InChIInChI=1S/2C26H28N8O.C23H26N6OS/c1-25(2)14-18(15-26(3,4)31-25)34-24-21(29-32-34)13-20(28-30-24)19-6-5-16(11-22(19)35)17-7-9-33-10-8-27-23(33)12-17;1-25(2)12-19(13-26(3,4)31-25)34-24-22(29-32-34)11-21(28-30-24)20-6-5-16(10-23(20)35)17-7-8-33-15-27-14-18(33)9-17;1-22(2)11-16(12-23(3,4)27-22)29-21-19(25-28-29)10-18(24-26-21)17-6-5-14(9-20(17)30)15-7-8-31-13-15/h5-13,18,31,35H,14-15H2,1-4H3;5-11,14-15,19,31,35H,12-13H2,1-4H3;5-10,13,16,27,30H,11-12H2,1-4H3
InChIKeyRKMQWOMLQDXHCP-UHFFFAOYSA-N
MW1371.70 g/mol
LogP13.58
Rot. Bonds9

About 5-imidazo[1,2-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,5-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-thiophen-3-ylphenol

5-imidazo[1,2-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,5-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-thiophen-3-ylphenol (PubChem CID 160651637) has the molecular formula C75H82N22O3S and a molecular weight of 1371.70 g/mol. Its IUPAC name is 5-imidazo[1,2-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,5-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-thiophen-3-ylphenol.

Molecular Properties

Compound Name5-imidazo[1,2-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,5-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-thiophen-3-ylphenol
PubChem CID160651637
Molecular FormulaC75H82N22O3S
Molecular Weight1371.70 g/mol
Exact Mass1370.67
IUPAC Name5-imidazo[1,2-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,5-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-thiophen-3-ylphenol
SMILESCC1(C)CC(n2nnc3cc(-c4ccc(-c5ccn6ccnc6c5)cc4O)nnc32)CC(C)(C)N1.CC1(C)CC(n2nnc3cc(-c4ccc(-c5ccn6cncc6c5)cc4O)nnc32)CC(C)(C)N1.CC1(C)CC(n2nnc3cc(-c4ccc(-c5ccsc5)cc4O)nnc32)CC(C)(C)N1
InChIInChI=1S/2C26H28N8O.C23H26N6OS/c1-25(2)14-18(15-26(3,4)31-25)34-24-21(29-32-34)13-20(28-30-24)19-6-5-16(11-22(19)35)17-7-9-33-10-8-27-23(33)12-17;1-25(2)12-19(13-26(3,4)31-25)34-24-22(29-32-34)11-21(28-30-24)20-6-5-16(10-23(20)35)17-7-8-33-15-27-14-18(33)9-17;1-22(2)11-16(12-23(3,4)27-22)29-21-19(25-28-29)10-18(24-26-21)17-6-5-14(9-20(17)30)15-7-8-31-13-15/h5-13,18,31,35H,14-15H2,1-4H3;5-11,14-15,19,31,35H,12-13H2,1-4H3;5-10,13,16,27,30H,11-12H2,1-4H3
InChIKeyRKMQWOMLQDXHCP-UHFFFAOYSA-N
XLogP13.58
TPSA300.85 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds9
Heavy Atoms101
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001371.70
LogP ≤ 513.58
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Analyze 5-imidazo[1,2-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,5-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-thiophen-3-ylphenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-imidazo[1,2-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,5-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-thiophen-3-ylphenol?
The IUPAC name of 5-imidazo[1,2-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,5-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-thiophen-3-ylphenol (CID 160651637) is 5-imidazo[1,2-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,5-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-thiophen-3-ylphenol.
What is the SMILES notation for 5-imidazo[1,2-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,5-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-thiophen-3-ylphenol?
The canonical SMILES for 5-imidazo[1,2-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,5-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-thiophen-3-ylphenol is CC1(C)CC(n2nnc3cc(-c4ccc(-c5ccn6ccnc6c5)cc4O)nnc32)CC(C)(C)N1.CC1(C)CC(n2nnc3cc(-c4ccc(-c5ccn6cncc6c5)cc4O)nnc32)CC(C)(C)N1.CC1(C)CC(n2nnc3cc(-c4ccc(-c5ccsc5)cc4O)nnc32)CC(C)(C)N1.
What is the InChIKey of 5-imidazo[1,2-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,5-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-thiophen-3-ylphenol?
The InChIKey is RKMQWOMLQDXHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H28N8O.C23H26N6OS/c1-25(2)14-18(15-26(3,4)31-25)34-24-21(29-32-34)13-20(28-30-24)19-6-5-16(11-22(19)35)17-7-9-33-10-8-27-23(33)12-17;1-25(2)12-19(13-26(3,4)31-25)34-24-22(29-32-34)11-21(28-30-24)20-6-5-16(10-23(20)35)17-7-8-33-15-27-14-18(33)9-17;1-22(2)11-16(12-23(3,4)27-22)29-21-19(25-28-29)10-18(24-26-21)17-6-5-14(9-20(17)30)15-7-8-31-13-15/h5-13,18,31,35H,14-15H2,1-4H3;5-11,14-15,19,31,35H,12-13H2,1-4H3;5-10,13,16,27,30H,11-12H2,1-4H3.
What are the key properties of 5-imidazo[1,2-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,5-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-thiophen-3-ylphenol?
5-imidazo[1,2-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,5-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-thiophen-3-ylphenol has a molecular weight of 1371.70 g/mol, XLogP of 13.58, 9 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazo[1,2-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,5-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-thiophen-3-ylphenol is sourced from PubChem (CID 160651637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).