(4R)-8-[3-(3-chloro-2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methyl-8-azaspiro[4.5]decane;(3S,4R)-1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-3-ol;3-[4-(difluoromethoxy)phenyl]-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(1-methylindol-3-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(1-methylindol-4-yl)-2H-pyrazolo[3,4-b]pyrazine

C103H118Cl2F3N27O2 — CID 158299598

About (4R)-8-[3-(3-chloro-2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methyl-8-azaspiro[4.5]decane;(3S,4R)-1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-3-ol;3-[4-(difluoromethoxy)phenyl]-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(1-methylindol-3-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(1-methylindol-4-yl)-2H-pyrazolo[3,4-b]pyrazine

(4R)-8-[3-(3-chloro-2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methyl-8-azaspiro[4.5]decane;(3S,4R)-1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-3-ol;3-[4-(difluoromethoxy)phenyl]-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(1-methylindol-3-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(1-methylindol-4-yl)-2H-pyrazolo[3,4-b]pyrazine (PubChem CID 158299598) has the molecular formula C103H118Cl2F3N27O2 and a molecular weight of 1894.16 g/mol. Its IUPAC name is (4R)-8-[3-(3-chloro-2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methyl-8-azaspiro[4.5]decane;(3S,4R)-1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-3-ol;3-[4-(difluoromethoxy)phenyl]-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(1-methylindol-3-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(1-methylindol-4-yl)-2H-pyrazolo[3,4-b]pyrazine.

Molecular Properties

• Compound Name: (4R)-8-[3-(3-chloro-2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methyl-8-azaspiro[4.5]decane;(3S,4R)-1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-3-ol;3-[4-(difluoromethoxy)phenyl]-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(1-methylindol-3-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(1-methylindol-4-yl)-2H-pyrazolo[3,4-b]pyrazine
• PubChem CID: 158299598
• Molecular Formula: C103H118Cl2F3N27O2
• Molecular Weight: 1894.16 g/mol
• Exact Mass: 1891.93
• IUPAC Name: (4R)-8-[3-(3-chloro-2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methyl-8-azaspiro[4.5]decane;(3S,4R)-1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-3-ol;3-[4-(difluoromethoxy)phenyl]-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(1-methylindol-3-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(1-methylindol-4-yl)-2H-pyrazolo[3,4-b]pyrazine
• SMILES: CCC1(C)CCN(c2cnc3c(-c4ccc(OC(F)F)cc4)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4cccc5c4ccn5C)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4cn(C)c5ccccc45)[nH]nc3n2)CC1.CC[C@@H]1CCN(c2cnc3c(-c4ccccc4Cl)[nH]nc3n2)C[C@H]1O.C[C@@H]1CCCC12CCN(c1cnc3c(-c4cccc(Cl)c4F)[nH]nc3n1)CC2
• InChI: InChI=1S/2C22H26N6.C21H23ClFN5.C20H23F2N5O.C18H20ClN5O/c1-4-22(2)9-12-28(13-10-22)18-14-23-20-19(25-26-21(20)24-18)16-6-5-7-17-15(16)8-11-27(17)3;1-4-22(2)9-11-28(12-10-22)18-13-23-20-19(25-26-21(20)24-18)16-14-27(3)17-8-6-5-7-15(16)17;1-13-4-3-7-21(13)8-10-28(11-9-21)16-12-24-19-18(26-27-20(19)25-16)14-5-2-6-15(22)17(14)23;1-3-20(2)8-10-27(11-9-20)15-12-23-17-16(25-26-18(17)24-15)13-4-6-14(7-5-13)28-19(21)22;1-2-11-7-8-24(10-14(11)25)15-9-20-17-16(22-23-18(17)21-15)12-5-3-4-6-13(12)19/h5-8,11,14H,4,9-10,12-13H2,1-3H3,(H,24,25,26);5-8,13-14H,4,9-12H2,1-3H3,(H,24,25,26);2,5-6,12-13H,3-4,7-11H2,1H3,(H,25,26,27);4-7,12,19H,3,8-11H2,1-2H3,(H,24,25,26);3-6,9,11,14,25H,2,7-8,10H2,1H3,(H,21,22,23)/t;;13-;;11-,14-/m..1.1/s1
• InChIKey: GMIKWALXLNIEBS-VZZMYGPZSA-N
• XLogP: 22.18
• TPSA: 327.82 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 16
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1894.16
LogP ≤ 5	22.18
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4R)-8-[3-(3-chloro-2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methyl-8-azaspiro[4.5]decane;(3S,4R)-1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-3-ol;3-[4-(difluoromethoxy)phenyl]-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(1-methylindol-3-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(1-methylindol-4-yl)-2H-pyrazolo[3,4-b]pyrazine?

The IUPAC name of (4R)-8-[3-(3-chloro-2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methyl-8-azaspiro[4.5]decane;(3S,4R)-1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-3-ol;3-[4-(difluoromethoxy)phenyl]-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(1-methylindol-3-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(1-methylindol-4-yl)-2H-pyrazolo[3,4-b]pyrazine (CID 158299598) is (4R)-8-[3-(3-chloro-2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methyl-8-azaspiro[4.5]decane;(3S,4R)-1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-3-ol;3-[4-(difluoromethoxy)phenyl]-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(1-methylindol-3-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(1-methylindol-4-yl)-2H-pyrazolo[3,4-b]pyrazine.

What is the SMILES notation for (4R)-8-[3-(3-chloro-2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methyl-8-azaspiro[4.5]decane;(3S,4R)-1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-3-ol;3-[4-(difluoromethoxy)phenyl]-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(1-methylindol-3-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(1-methylindol-4-yl)-2H-pyrazolo[3,4-b]pyrazine?

The canonical SMILES for (4R)-8-[3-(3-chloro-2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methyl-8-azaspiro[4.5]decane;(3S,4R)-1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-3-ol;3-[4-(difluoromethoxy)phenyl]-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(1-methylindol-3-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(1-methylindol-4-yl)-2H-pyrazolo[3,4-b]pyrazine is CCC1(C)CCN(c2cnc3c(-c4ccc(OC(F)F)cc4)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4cccc5c4ccn5C)[nH]nc3n2)CC1.CCC1(C)CCN(c2cnc3c(-c4cn(C)c5ccccc45)[nH]nc3n2)CC1.CC[C@@H]1CCN(c2cnc3c(-c4ccccc4Cl)[nH]nc3n2)C[C@H]1O.C[C@@H]1CCCC12CCN(c1cnc3c(-c4cccc(Cl)c4F)[nH]nc3n1)CC2.

What is the InChIKey of (4R)-8-[3-(3-chloro-2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methyl-8-azaspiro[4.5]decane;(3S,4R)-1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-3-ol;3-[4-(difluoromethoxy)phenyl]-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(1-methylindol-3-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(1-methylindol-4-yl)-2H-pyrazolo[3,4-b]pyrazine?

The InChIKey is GMIKWALXLNIEBS-VZZMYGPZSA-N. The full InChI is InChI=1S/2C22H26N6.C21H23ClFN5.C20H23F2N5O.C18H20ClN5O/c1-4-22(2)9-12-28(13-10-22)18-14-23-20-19(25-26-21(20)24-18)16-6-5-7-17-15(16)8-11-27(17)3;1-4-22(2)9-11-28(12-10-22)18-13-23-20-19(25-26-21(20)24-18)16-14-27(3)17-8-6-5-7-15(16)17;1-13-4-3-7-21(13)8-10-28(11-9-21)16-12-24-19-18(26-27-20(19)25-16)14-5-2-6-15(22)17(14)23;1-3-20(2)8-10-27(11-9-20)15-12-23-17-16(25-26-18(17)24-15)13-4-6-14(7-5-13)28-19(21)22;1-2-11-7-8-24(10-14(11)25)15-9-20-17-16(22-23-18(17)21-15)12-5-3-4-6-13(12)19/h5-8,11,14H,4,9-10,12-13H2,1-3H3,(H,24,25,26);5-8,13-14H,4,9-12H2,1-3H3,(H,24,25,26);2,5-6,12-13H,3-4,7-11H2,1H3,(H,25,26,27);4-7,12,19H,3,8-11H2,1-2H3,(H,24,25,26);3-6,9,11,14,25H,2,7-8,10H2,1H3,(H,21,22,23)/t;;13-;;11-,14-/m..1.1/s1.

What are the key properties of (4R)-8-[3-(3-chloro-2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methyl-8-azaspiro[4.5]decane;(3S,4R)-1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-3-ol;3-[4-(difluoromethoxy)phenyl]-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(1-methylindol-3-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(1-methylindol-4-yl)-2H-pyrazolo[3,4-b]pyrazine?

(4R)-8-[3-(3-chloro-2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methyl-8-azaspiro[4.5]decane;(3S,4R)-1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-3-ol;3-[4-(difluoromethoxy)phenyl]-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(1-methylindol-3-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(1-methylindol-4-yl)-2H-pyrazolo[3,4-b]pyrazine has a molecular weight of 1894.16 g/mol, XLogP of 22.18, 16 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-8-[3-(3-chloro-2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methyl-8-azaspiro[4.5]decane;(3S,4R)-1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-3-ol;3-[4-(difluoromethoxy)phenyl]-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(1-methylindol-3-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(1-methylindol-4-yl)-2H-pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 158299598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).