6-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-ethylpyridazin-3-one;6-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one;6-[4-[6-(ethylamino)-3-[4-[(3-fluoroazetidin-1-yl)methyl]phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one;2-ethyl-6-[4-[6-(ethylamino)-3-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridazin-3-one

C111H141FN32O12 — CID 163929705

About 6-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-ethylpyridazin-3-one;6-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one;6-[4-[6-(ethylamino)-3-[4-[(3-fluoroazetidin-1-yl)methyl]phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one;2-ethyl-6-[4-[6-(ethylamino)-3-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridazin-3-one

6-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-ethylpyridazin-3-one;6-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one;6-[4-[6-(ethylamino)-3-[4-[(3-fluoroazetidin-1-yl)methyl]phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one;2-ethyl-6-[4-[6-(ethylamino)-3-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridazin-3-one (PubChem CID 163929705) has the molecular formula C111H141FN32O12 and a molecular weight of 2134.56 g/mol. Its IUPAC name is 6-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-ethylpyridazin-3-one;6-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one;6-[4-[6-(ethylamino)-3-[4-[(3-fluoroazetidin-1-yl)methyl]phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one;2-ethyl-6-[4-[6-(ethylamino)-3-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridazin-3-one.

Molecular Properties

• Compound Name: 6-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-ethylpyridazin-3-one;6-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one;6-[4-[6-(ethylamino)-3-[4-[(3-fluoroazetidin-1-yl)methyl]phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one;2-ethyl-6-[4-[6-(ethylamino)-3-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridazin-3-one
• PubChem CID: 163929705
• Molecular Formula: C111H141FN32O12
• Molecular Weight: 2134.56 g/mol
• Exact Mass: 2133.14
• IUPAC Name: 6-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-ethylpyridazin-3-one;6-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one;6-[4-[6-(ethylamino)-3-[4-[(3-fluoroazetidin-1-yl)methyl]phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one;2-ethyl-6-[4-[6-(ethylamino)-3-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridazin-3-one
• SMILES: CCNc1cc2c(cn1)c(-c1ccc(CN3CC(F)C3)cc1)nn2C1CCC(Oc2ccc(=O)n(C)n2)CC1.CCNc1cc2c(cn1)c(-c1ccc(CN3CCN(C)CC3)nc1)nn2C1CCC(Oc2ccc(=O)n(CC)n2)CC1.CCNc1cc2c(cn1)c(-c1cnn(C[C@@H](O)CO)c1)nn2C1CCC(Oc2ccc(=O)n(C)n2)CC1.CCNc1cc2c(cn1)c(-c1cnn(C[C@@H](O)CO)c1)nn2C1CCC(Oc2ccc(=O)n(CC)n2)CC1
• InChI: InChI=1S/C31H41N9O2.C29H34FN7O2.C26H34N8O4.C25H32N8O4/c1-4-32-28-18-27-26(20-34-28)31(22-6-7-23(33-19-22)21-38-16-14-37(3)15-17-38)36-40(27)24-8-10-25(11-9-24)42-29-12-13-30(41)39(5-2)35-29;1-3-31-26-14-25-24(15-32-26)29(20-6-4-19(5-7-20)16-36-17-21(30)18-36)34-37(25)22-8-10-23(11-9-22)39-27-12-13-28(38)35(2)33-27;1-3-27-23-11-22-21(13-28-23)26(17-12-29-32(14-17)15-19(36)16-35)31-34(22)18-5-7-20(8-6-18)38-24-9-10-25(37)33(4-2)30-24;1-3-26-22-10-21-20(12-27-22)25(16-11-28-32(13-16)14-18(35)15-34)30-33(21)17-4-6-19(7-5-17)37-23-8-9-24(36)31(2)29-23/h6-7,12-13,18-20,24-25H,4-5,8-11,14-17,21H2,1-3H3,(H,32,34);4-7,12-15,21-23H,3,8-11,16-18H2,1-2H3,(H,31,32);9-14,18-20,35-36H,3-8,15-16H2,1-2H3,(H,27,28);8-13,17-19,34-35H,3-7,14-15H2,1-2H3,(H,26,27)/t;;18?,19-,20?;17?,18-,19?/m..11/s1
• InChIKey: RHQPEQUPZOZDMH-RQKKXSDCSA-N
• XLogP: 12.11
• TPSA: 486.61 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 44
• Rotatable Bonds: 36
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2134.56
LogP ≤ 5	12.11
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-ethylpyridazin-3-one;6-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one;6-[4-[6-(ethylamino)-3-[4-[(3-fluoroazetidin-1-yl)methyl]phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one;2-ethyl-6-[4-[6-(ethylamino)-3-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridazin-3-one?

The IUPAC name of 6-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-ethylpyridazin-3-one;6-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one;6-[4-[6-(ethylamino)-3-[4-[(3-fluoroazetidin-1-yl)methyl]phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one;2-ethyl-6-[4-[6-(ethylamino)-3-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridazin-3-one (CID 163929705) is 6-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-ethylpyridazin-3-one;6-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one;6-[4-[6-(ethylamino)-3-[4-[(3-fluoroazetidin-1-yl)methyl]phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one;2-ethyl-6-[4-[6-(ethylamino)-3-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridazin-3-one.

What is the SMILES notation for 6-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-ethylpyridazin-3-one;6-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one;6-[4-[6-(ethylamino)-3-[4-[(3-fluoroazetidin-1-yl)methyl]phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one;2-ethyl-6-[4-[6-(ethylamino)-3-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridazin-3-one?

The canonical SMILES for 6-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-ethylpyridazin-3-one;6-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one;6-[4-[6-(ethylamino)-3-[4-[(3-fluoroazetidin-1-yl)methyl]phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one;2-ethyl-6-[4-[6-(ethylamino)-3-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridazin-3-one is CCNc1cc2c(cn1)c(-c1ccc(CN3CC(F)C3)cc1)nn2C1CCC(Oc2ccc(=O)n(C)n2)CC1.CCNc1cc2c(cn1)c(-c1ccc(CN3CCN(C)CC3)nc1)nn2C1CCC(Oc2ccc(=O)n(CC)n2)CC1.CCNc1cc2c(cn1)c(-c1cnn(C[C@@H](O)CO)c1)nn2C1CCC(Oc2ccc(=O)n(C)n2)CC1.CCNc1cc2c(cn1)c(-c1cnn(C[C@@H](O)CO)c1)nn2C1CCC(Oc2ccc(=O)n(CC)n2)CC1.

What is the InChIKey of 6-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-ethylpyridazin-3-one;6-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one;6-[4-[6-(ethylamino)-3-[4-[(3-fluoroazetidin-1-yl)methyl]phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one;2-ethyl-6-[4-[6-(ethylamino)-3-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridazin-3-one?

The InChIKey is RHQPEQUPZOZDMH-RQKKXSDCSA-N. The full InChI is InChI=1S/C31H41N9O2.C29H34FN7O2.C26H34N8O4.C25H32N8O4/c1-4-32-28-18-27-26(20-34-28)31(22-6-7-23(33-19-22)21-38-16-14-37(3)15-17-38)36-40(27)24-8-10-25(11-9-24)42-29-12-13-30(41)39(5-2)35-29;1-3-31-26-14-25-24(15-32-26)29(20-6-4-19(5-7-20)16-36-17-21(30)18-36)34-37(25)22-8-10-23(11-9-22)39-27-12-13-28(38)35(2)33-27;1-3-27-23-11-22-21(13-28-23)26(17-12-29-32(14-17)15-19(36)16-35)31-34(22)18-5-7-20(8-6-18)38-24-9-10-25(37)33(4-2)30-24;1-3-26-22-10-21-20(12-27-22)25(16-11-28-32(13-16)14-18(35)15-34)30-33(21)17-4-6-19(7-5-17)37-23-8-9-24(36)31(2)29-23/h6-7,12-13,18-20,24-25H,4-5,8-11,14-17,21H2,1-3H3,(H,32,34);4-7,12-15,21-23H,3,8-11,16-18H2,1-2H3,(H,31,32);9-14,18-20,35-36H,3-8,15-16H2,1-2H3,(H,27,28);8-13,17-19,34-35H,3-7,14-15H2,1-2H3,(H,26,27)/t;;18?,19-,20?;17?,18-,19?/m..11/s1.

What are the key properties of 6-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-ethylpyridazin-3-one;6-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one;6-[4-[6-(ethylamino)-3-[4-[(3-fluoroazetidin-1-yl)methyl]phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one;2-ethyl-6-[4-[6-(ethylamino)-3-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridazin-3-one?

6-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-ethylpyridazin-3-one;6-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one;6-[4-[6-(ethylamino)-3-[4-[(3-fluoroazetidin-1-yl)methyl]phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one;2-ethyl-6-[4-[6-(ethylamino)-3-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridazin-3-one has a molecular weight of 2134.56 g/mol, XLogP of 12.11, 36 rotatable bonds, 8 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-ethylpyridazin-3-one;6-[4-[3-[1-[(2R)-2,3-dihydroxypropyl]pyrazol-4-yl]-6-(ethylamino)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one;6-[4-[6-(ethylamino)-3-[4-[(3-fluoroazetidin-1-yl)methyl]phenyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxy-2-methylpyridazin-3-one;2-ethyl-6-[4-[6-(ethylamino)-3-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]oxypyridazin-3-one is sourced from PubChem (CID 163929705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).