3-(2-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-[(3R)-3-methyl-7-azaspiro[3.5]nonan-7-yl]-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-[(2R)-2-methyl-6-azaspiro[2.5]octan-6-yl]-2H-pyrazolo[3,4-b]pyrazine;[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methanamine

C96H107Cl5N26O — CID 157408292

About 3-(2-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-[(3R)-3-methyl-7-azaspiro[3.5]nonan-7-yl]-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-[(2R)-2-methyl-6-azaspiro[2.5]octan-6-yl]-2H-pyrazolo[3,4-b]pyrazine;[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methanamine

3-(2-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-[(3R)-3-methyl-7-azaspiro[3.5]nonan-7-yl]-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-[(2R)-2-methyl-6-azaspiro[2.5]octan-6-yl]-2H-pyrazolo[3,4-b]pyrazine;[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methanamine (PubChem CID 157408292) has the molecular formula C96H107Cl5N26O and a molecular weight of 1818.36 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-[(3R)-3-methyl-7-azaspiro[3.5]nonan-7-yl]-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-[(2R)-2-methyl-6-azaspiro[2.5]octan-6-yl]-2H-pyrazolo[3,4-b]pyrazine;[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methanamine.

Molecular Properties

• Compound Name: 3-(2-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-[(3R)-3-methyl-7-azaspiro[3.5]nonan-7-yl]-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-[(2R)-2-methyl-6-azaspiro[2.5]octan-6-yl]-2H-pyrazolo[3,4-b]pyrazine;[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methanamine
• PubChem CID: 157408292
• Molecular Formula: C96H107Cl5N26O
• Molecular Weight: 1818.36 g/mol
• Exact Mass: 1814.76
• IUPAC Name: 3-(2-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-[(3R)-3-methyl-7-azaspiro[3.5]nonan-7-yl]-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-[(2R)-2-methyl-6-azaspiro[2.5]octan-6-yl]-2H-pyrazolo[3,4-b]pyrazine;[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methanamine
• SMILES: CC1(C)CCN(c2cnc3c(-c4ccccc4Cl)[nH]nc3n2)CC1.COCC1(CN)CCN(c2cnc3c(-c4ccccc4Cl)[nH]nc3n2)CC1.C[C@@H]1CC12CCN(c1cnc3c(-c4ccccc4Cl)[nH]nc3n1)CC2.C[C@@H]1CCC12CCN(c1cnc3c(-c4ccccc4Cl)[nH]nc3n1)CC2.C[C@H]1CCC12CCN(c1cnc3c(-c4ccccc4Cl)[nH]nc3n1)CC2
• InChI: InChI=1S/2C20H22ClN5.C19H23ClN6O.C19H20ClN5.C18H20ClN5/c2*1-13-6-7-20(13)8-10-26(11-9-20)16-12-22-18-17(24-25-19(18)23-16)14-4-2-3-5-15(14)21;1-27-12-19(11-21)6-8-26(9-7-19)15-10-22-17-16(24-25-18(17)23-15)13-4-2-3-5-14(13)20;1-12-10-19(12)6-8-25(9-7-19)15-11-21-17-16(23-24-18(17)22-15)13-4-2-3-5-14(13)20;1-18(2)7-9-24(10-8-18)14-11-20-16-15(22-23-17(16)21-14)12-5-3-4-6-13(12)19/h2*2-5,12-13H,6-11H2,1H3,(H,23,24,25);2-5,10H,6-9,11-12,21H2,1H3,(H,23,24,25);2-5,11-12H,6-10H2,1H3,(H,22,23,24);3-6,11H,7-10H2,1-2H3,(H,21,22,23)/t2*13-;;12-;/m10.1./s1
• InChIKey: BNZDRQMEXYPMNG-CBJSOOOJSA-N
• XLogP: 20.84
• TPSA: 323.75 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 13
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1818.36
LogP ≤ 5	20.84
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-[(3R)-3-methyl-7-azaspiro[3.5]nonan-7-yl]-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-[(2R)-2-methyl-6-azaspiro[2.5]octan-6-yl]-2H-pyrazolo[3,4-b]pyrazine;[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methanamine?

The IUPAC name of 3-(2-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-[(3R)-3-methyl-7-azaspiro[3.5]nonan-7-yl]-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-[(2R)-2-methyl-6-azaspiro[2.5]octan-6-yl]-2H-pyrazolo[3,4-b]pyrazine;[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methanamine (CID 157408292) is 3-(2-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-[(3R)-3-methyl-7-azaspiro[3.5]nonan-7-yl]-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-[(2R)-2-methyl-6-azaspiro[2.5]octan-6-yl]-2H-pyrazolo[3,4-b]pyrazine;[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methanamine.

What is the SMILES notation for 3-(2-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-[(3R)-3-methyl-7-azaspiro[3.5]nonan-7-yl]-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-[(2R)-2-methyl-6-azaspiro[2.5]octan-6-yl]-2H-pyrazolo[3,4-b]pyrazine;[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methanamine?

The canonical SMILES for 3-(2-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-[(3R)-3-methyl-7-azaspiro[3.5]nonan-7-yl]-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-[(2R)-2-methyl-6-azaspiro[2.5]octan-6-yl]-2H-pyrazolo[3,4-b]pyrazine;[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methanamine is CC1(C)CCN(c2cnc3c(-c4ccccc4Cl)[nH]nc3n2)CC1.COCC1(CN)CCN(c2cnc3c(-c4ccccc4Cl)[nH]nc3n2)CC1.C[C@@H]1CC12CCN(c1cnc3c(-c4ccccc4Cl)[nH]nc3n1)CC2.C[C@@H]1CCC12CCN(c1cnc3c(-c4ccccc4Cl)[nH]nc3n1)CC2.C[C@H]1CCC12CCN(c1cnc3c(-c4ccccc4Cl)[nH]nc3n1)CC2.

What is the InChIKey of 3-(2-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-[(3R)-3-methyl-7-azaspiro[3.5]nonan-7-yl]-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-[(2R)-2-methyl-6-azaspiro[2.5]octan-6-yl]-2H-pyrazolo[3,4-b]pyrazine;[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methanamine?

The InChIKey is BNZDRQMEXYPMNG-CBJSOOOJSA-N. The full InChI is InChI=1S/2C20H22ClN5.C19H23ClN6O.C19H20ClN5.C18H20ClN5/c2*1-13-6-7-20(13)8-10-26(11-9-20)16-12-22-18-17(24-25-19(18)23-16)14-4-2-3-5-15(14)21;1-27-12-19(11-21)6-8-26(9-7-19)15-10-22-17-16(24-25-18(17)23-15)13-4-2-3-5-14(13)20;1-12-10-19(12)6-8-25(9-7-19)15-11-21-17-16(23-24-18(17)22-15)13-4-2-3-5-14(13)20;1-18(2)7-9-24(10-8-18)14-11-20-16-15(22-23-17(16)21-14)12-5-3-4-6-13(12)19/h2*2-5,12-13H,6-11H2,1H3,(H,23,24,25);2-5,10H,6-9,11-12,21H2,1H3,(H,23,24,25);2-5,11-12H,6-10H2,1H3,(H,22,23,24);3-6,11H,7-10H2,1-2H3,(H,21,22,23)/t2*13-;;12-;/m10.1./s1.

What are the key properties of 3-(2-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-[(3R)-3-methyl-7-azaspiro[3.5]nonan-7-yl]-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-[(2R)-2-methyl-6-azaspiro[2.5]octan-6-yl]-2H-pyrazolo[3,4-b]pyrazine;[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methanamine?

3-(2-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-[(3R)-3-methyl-7-azaspiro[3.5]nonan-7-yl]-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-[(2R)-2-methyl-6-azaspiro[2.5]octan-6-yl]-2H-pyrazolo[3,4-b]pyrazine;[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methanamine has a molecular weight of 1818.36 g/mol, XLogP of 20.84, 13 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-chlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-[(3R)-3-methyl-7-azaspiro[3.5]nonan-7-yl]-2H-pyrazolo[3,4-b]pyrazine;3-(2-chlorophenyl)-6-[(2R)-2-methyl-6-azaspiro[2.5]octan-6-yl]-2H-pyrazolo[3,4-b]pyrazine;[1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-(methoxymethyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 157408292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).