6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[6-(3-ethylpyrrolidin-1-yl)-3-pyridinyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloropyrimidin-2-yl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one

C133H126Cl6N28O17 — CID 159160884

About 6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[6-(3-ethylpyrrolidin-1-yl)-3-pyridinyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloropyrimidin-2-yl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one

6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[6-(3-ethylpyrrolidin-1-yl)-3-pyridinyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloropyrimidin-2-yl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 159160884) has the molecular formula C133H126Cl6N28O17 and a molecular weight of 2601.37 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[6-(3-ethylpyrrolidin-1-yl)-3-pyridinyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloropyrimidin-2-yl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

• Compound Name: 6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[6-(3-ethylpyrrolidin-1-yl)-3-pyridinyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloropyrimidin-2-yl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
• PubChem CID: 159160884
• Molecular Formula: C133H126Cl6N28O17
• Molecular Weight: 2601.37 g/mol
• Exact Mass: 2596.80
• IUPAC Name: 6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[6-(3-ethylpyrrolidin-1-yl)-3-pyridinyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloropyrimidin-2-yl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
• SMILES: CCC1CCN(c2ccc(-n3cnn4nc(-c5ccc(Cl)cc5)cc4c3=O)cn2)C1.COc1cc(-n2cnn3cc(-c4ccc(Cl)cn4)cc3c2=O)ccc1OCC(C)(C)C.COc1cc(-n2cnn3cc(-c4ncc(Cl)cn4)cc3c2=O)ccc1OCC(C)(C)C.COc1cc(-n2cnn3nc(-c4ccc(Cl)cc4)cc3c2=O)ccc1OCC(O)C1CC1.COc1cc(-n2cnn3nc(-c4ccc(Cl)cc4)cc3c2=O)ccc1OCCN1CCCC1.COc1ccc(-n2cnn3cc(-c4ccc(Cl)cc4)nc3c2=O)cc1OC
• InChI: InChI=1S/C24H24ClN5O3.C23H21ClN4O4.C23H23ClN4O3.C22H21ClN6O.C22H22ClN5O3.C19H15ClN4O3/c1-32-23-14-19(8-9-22(23)33-13-12-28-10-2-3-11-28)29-16-26-30-21(24(29)31)15-20(27-30)17-4-6-18(25)7-5-17;1-31-22-10-17(8-9-21(22)32-12-20(29)15-2-3-15)27-13-25-28-19(23(27)30)11-18(26-28)14-4-6-16(24)7-5-14;1-23(2,3)13-31-20-8-6-17(10-21(20)30-4)27-14-26-28-12-15(9-19(28)22(27)29)18-7-5-16(24)11-25-18;1-2-15-9-10-27(13-15)21-8-7-18(12-24-21)28-14-25-29-20(22(28)30)11-19(26-29)16-3-5-17(23)6-4-16;1-22(2,3)12-31-18-6-5-16(8-19(18)30-4)27-13-26-28-11-14(7-17(28)21(27)29)20-24-9-15(23)10-25-20;1-26-16-8-7-14(9-17(16)27-2)23-11-21-24-10-15(22-18(24)19(23)25)12-3-5-13(20)6-4-12/h4-9,14-16H,2-3,10-13H2,1H3;4-11,13,15,20,29H,2-3,12H2,1H3;5-12,14H,13H2,1-4H3;3-8,11-12,14-15H,2,9-10,13H2,1H3;5-11,13H,12H2,1-4H3;3-11H,1-2H3
• InChIKey: KKLSYVAMCSUOHB-UHFFFAOYSA-N
• XLogP: 22.76
• TPSA: 457.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 45
• Rotatable Bonds: 32
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2601.37
LogP ≤ 5	22.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[6-(3-ethylpyrrolidin-1-yl)-3-pyridinyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloropyrimidin-2-yl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one?

The IUPAC name of 6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[6-(3-ethylpyrrolidin-1-yl)-3-pyridinyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloropyrimidin-2-yl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 159160884) is 6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[6-(3-ethylpyrrolidin-1-yl)-3-pyridinyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloropyrimidin-2-yl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one.

What is the SMILES notation for 6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[6-(3-ethylpyrrolidin-1-yl)-3-pyridinyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloropyrimidin-2-yl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one?

The canonical SMILES for 6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[6-(3-ethylpyrrolidin-1-yl)-3-pyridinyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloropyrimidin-2-yl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one is CCC1CCN(c2ccc(-n3cnn4nc(-c5ccc(Cl)cc5)cc4c3=O)cn2)C1.COc1cc(-n2cnn3cc(-c4ccc(Cl)cn4)cc3c2=O)ccc1OCC(C)(C)C.COc1cc(-n2cnn3cc(-c4ncc(Cl)cn4)cc3c2=O)ccc1OCC(C)(C)C.COc1cc(-n2cnn3nc(-c4ccc(Cl)cc4)cc3c2=O)ccc1OCC(O)C1CC1.COc1cc(-n2cnn3nc(-c4ccc(Cl)cc4)cc3c2=O)ccc1OCCN1CCCC1.COc1ccc(-n2cnn3cc(-c4ccc(Cl)cc4)nc3c2=O)cc1OC.

What is the InChIKey of 6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[6-(3-ethylpyrrolidin-1-yl)-3-pyridinyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloropyrimidin-2-yl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one?

The InChIKey is KKLSYVAMCSUOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O3.C23H21ClN4O4.C23H23ClN4O3.C22H21ClN6O.C22H22ClN5O3.C19H15ClN4O3/c1-32-23-14-19(8-9-22(23)33-13-12-28-10-2-3-11-28)29-16-26-30-21(24(29)31)15-20(27-30)17-4-6-18(25)7-5-17;1-31-22-10-17(8-9-21(22)32-12-20(29)15-2-3-15)27-13-25-28-19(23(27)30)11-18(26-28)14-4-6-16(24)7-5-14;1-23(2,3)13-31-20-8-6-17(10-21(20)30-4)27-14-26-28-12-15(9-19(28)22(27)29)18-7-5-16(24)11-25-18;1-2-15-9-10-27(13-15)21-8-7-18(12-24-21)28-14-25-29-20(22(28)30)11-19(26-29)16-3-5-17(23)6-4-16;1-22(2,3)12-31-18-6-5-16(8-19(18)30-4)27-13-26-28-11-14(7-17(28)21(27)29)20-24-9-15(23)10-25-20;1-26-16-8-7-14(9-17(16)27-2)23-11-21-24-10-15(22-18(24)19(23)25)12-3-5-13(20)6-4-12/h4-9,14-16H,2-3,10-13H2,1H3;4-11,13,15,20,29H,2-3,12H2,1H3;5-12,14H,13H2,1-4H3;3-8,11-12,14-15H,2,9-10,13H2,1H3;5-11,13H,12H2,1-4H3;3-11H,1-2H3.

What are the key properties of 6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[6-(3-ethylpyrrolidin-1-yl)-3-pyridinyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloropyrimidin-2-yl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one?

6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[6-(3-ethylpyrrolidin-1-yl)-3-pyridinyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloropyrimidin-2-yl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 2601.37 g/mol, XLogP of 22.76, 32 rotatable bonds, 1 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)imidazo[2,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[6-(3-ethylpyrrolidin-1-yl)-3-pyridinyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-(5-chloro-2-pyridinyl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one;6-(5-chloropyrimidin-2-yl)-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 159160884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).