3-(2-chloro-3-fluorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chloro-3-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;bis(1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-amine)

C73H82Cl6FN23 — CID 158017358

IUPAC3-(2-chloro-3-fluorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chloro-3-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;bis(1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-amine)
SMILESCCC1(C)CCN(c2cnc3c(-c4cccc(F)c4Cl)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4cccnc4Cl)[nH]nc3n2)CC1.CCC1(N)CCN(c2cnc3c(-c4cccc(Cl)c4Cl)[nH]nc3n2)CC1.CCC1(N)CCN(c2cnc3c(-c4cccc(Cl)c4Cl)[nH]nc3n2)CC1
InChIInChI=1S/C19H21ClFN5.2C18H20Cl2N6.C18H21ClN6/c1-3-19(2)7-9-26(10-8-19)14-11-22-17-16(24-25-18(17)23-14)12-5-4-6-13(21)15(12)20;2*1-2-18(21)6-8-26(9-7-18)13-10-22-16-15(24-25-17(16)23-13)11-4-3-5-12(19)14(11)20;1-3-18(2)6-9-25(10-7-18)13-11-21-15-14(23-24-17(15)22-13)12-5-4-8-20-16(12)19/h4-6,11H,3,7-10H2,1-2H3,(H,23,24,25);2*3-5,10H,2,6-9,21H2,1H3,(H,23,24,25);4-5,8,11H,3,6-7,9-10H2,1-2H3,(H,22,23,24)
InChIKeyFFQDWJPWROSMNT-UHFFFAOYSA-N
MW1513.34 g/mol
LogP16.98
Rot. Bonds12

About 3-(2-chloro-3-fluorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chloro-3-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;bis(1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-amine)

3-(2-chloro-3-fluorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chloro-3-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;bis(1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-amine) (PubChem CID 158017358) has the molecular formula C73H82Cl6FN23 and a molecular weight of 1513.34 g/mol. Its IUPAC name is 3-(2-chloro-3-fluorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chloro-3-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;bis(1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-amine).

Molecular Properties

Compound Name3-(2-chloro-3-fluorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chloro-3-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;bis(1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-amine)
PubChem CID158017358
Molecular FormulaC73H82Cl6FN23
Molecular Weight1513.34 g/mol
Exact Mass1509.52
IUPAC Name3-(2-chloro-3-fluorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chloro-3-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;bis(1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-amine)
SMILESCCC1(C)CCN(c2cnc3c(-c4cccc(F)c4Cl)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4cccnc4Cl)[nH]nc3n2)CC1.CCC1(N)CCN(c2cnc3c(-c4cccc(Cl)c4Cl)[nH]nc3n2)CC1.CCC1(N)CCN(c2cnc3c(-c4cccc(Cl)c4Cl)[nH]nc3n2)CC1
InChIInChI=1S/C19H21ClFN5.2C18H20Cl2N6.C18H21ClN6/c1-3-19(2)7-9-26(10-8-19)14-11-22-17-16(24-25-18(17)23-14)12-5-4-6-13(21)15(12)20;2*1-2-18(21)6-8-26(9-7-18)13-10-22-16-15(24-25-17(16)23-13)11-4-3-5-12(19)14(11)20;1-3-18(2)6-9-25(10-7-18)13-11-21-15-14(23-24-17(15)22-13)12-5-4-8-20-16(12)19/h4-6,11H,3,7-10H2,1-2H3,(H,23,24,25);2*3-5,10H,2,6-9,21H2,1H3,(H,23,24,25);4-5,8,11H,3,6-7,9-10H2,1-2H3,(H,22,23,24)
InChIKeyFFQDWJPWROSMNT-UHFFFAOYSA-N
XLogP16.98
TPSA295.73 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds12
Heavy Atoms103
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001513.34
LogP ≤ 516.98
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-(2-chloro-3-fluorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chloro-3-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;bis(1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-amine) with MolForge

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Related Compounds

1-[3-(2,3-dichlorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
CID 132166923
1-[(3P)-3-(3-chloro-2-fluorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
CID 132166959
(4R)-8-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-8-azaspiro[4.5]decan-4-amine
CID 132167081
US10280171, Example 19
CID 132166896
US10280171, Example 65A
CID 132167135
US10280171, Example 58
CID 132176113
US10851110, Example 64A
CID 132176150
US10851110, Example 64B
CID 132176151
US11466017, Example 64A
CID 132176152
US10851110, Example 65B
CID 132180718
US10280171, Example 64A
CID 145996016
US10280171, Example 64B
CID 145996017

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-fluorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chloro-3-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;bis(1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-amine)?
The IUPAC name of 3-(2-chloro-3-fluorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chloro-3-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;bis(1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-amine) (CID 158017358) is 3-(2-chloro-3-fluorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chloro-3-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;bis(1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-amine).
What is the SMILES notation for 3-(2-chloro-3-fluorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chloro-3-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;bis(1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-amine)?
The canonical SMILES for 3-(2-chloro-3-fluorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chloro-3-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;bis(1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-amine) is CCC1(C)CCN(c2cnc3c(-c4cccc(F)c4Cl)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4cccnc4Cl)[nH]nc3n2)CC1.CCC1(N)CCN(c2cnc3c(-c4cccc(Cl)c4Cl)[nH]nc3n2)CC1.CCC1(N)CCN(c2cnc3c(-c4cccc(Cl)c4Cl)[nH]nc3n2)CC1.
What is the InChIKey of 3-(2-chloro-3-fluorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chloro-3-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;bis(1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-amine)?
The InChIKey is FFQDWJPWROSMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN5.2C18H20Cl2N6.C18H21ClN6/c1-3-19(2)7-9-26(10-8-19)14-11-22-17-16(24-25-18(17)23-14)12-5-4-6-13(21)15(12)20;2*1-2-18(21)6-8-26(9-7-18)13-10-22-16-15(24-25-17(16)23-13)11-4-3-5-12(19)14(11)20;1-3-18(2)6-9-25(10-7-18)13-11-21-15-14(23-24-17(15)22-13)12-5-4-8-20-16(12)19/h4-6,11H,3,7-10H2,1-2H3,(H,23,24,25);2*3-5,10H,2,6-9,21H2,1H3,(H,23,24,25);4-5,8,11H,3,6-7,9-10H2,1-2H3,(H,22,23,24).
What are the key properties of 3-(2-chloro-3-fluorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chloro-3-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;bis(1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-amine)?
3-(2-chloro-3-fluorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chloro-3-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;bis(1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-amine) has a molecular weight of 1513.34 g/mol, XLogP of 16.98, 12 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-fluorophenyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chloro-3-pyridinyl)-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;bis(1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-4-amine) is sourced from PubChem (CID 158017358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).