(5R)-5,8-dimethyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine;(5R)-5,8-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine;1-[4-[2-[3-[[(5R)-5,8-dimethyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]ethyl]piperazin-1-yl]-2-methylpropan-2-ol;[(2S)-pyrrolidin-2-yl]methyl 2-[4-[2-[3-[[(5R)-5,8-dimethyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]ethyl]piperazin-1-yl]propanoate

C117H146N36O4 — CID 157143117

About (5R)-5,8-dimethyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine;(5R)-5,8-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine;1-[4-[2-[3-[[(5R)-5,8-dimethyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]ethyl]piperazin-1-yl]-2-methylpropan-2-ol;[(2S)-pyrrolidin-2-yl]methyl 2-[4-[2-[3-[[(5R)-5,8-dimethyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]ethyl]piperazin-1-yl]propanoate

(5R)-5,8-dimethyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine;(5R)-5,8-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine;1-[4-[2-[3-[[(5R)-5,8-dimethyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]ethyl]piperazin-1-yl]-2-methylpropan-2-ol;[(2S)-pyrrolidin-2-yl]methyl 2-[4-[2-[3-[[(5R)-5,8-dimethyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]ethyl]piperazin-1-yl]propanoate (PubChem CID 157143117) has the molecular formula C117H146N36O4 and a molecular weight of 2120.70 g/mol. Its IUPAC name is (5R)-5,8-dimethyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine;(5R)-5,8-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine;1-[4-[2-[3-[[(5R)-5,8-dimethyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]ethyl]piperazin-1-yl]-2-methylpropan-2-ol;[(2S)-pyrrolidin-2-yl]methyl 2-[4-[2-[3-[[(5R)-5,8-dimethyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]ethyl]piperazin-1-yl]propanoate.

Molecular Properties

• Compound Name: (5R)-5,8-dimethyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine;(5R)-5,8-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine;1-[4-[2-[3-[[(5R)-5,8-dimethyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]ethyl]piperazin-1-yl]-2-methylpropan-2-ol;[(2S)-pyrrolidin-2-yl]methyl 2-[4-[2-[3-[[(5R)-5,8-dimethyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]ethyl]piperazin-1-yl]propanoate
• PubChem CID: 157143117
• Molecular Formula: C117H146N36O4
• Molecular Weight: 2120.70 g/mol
• Exact Mass: 2119.23
• IUPAC Name: (5R)-5,8-dimethyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine;(5R)-5,8-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine;1-[4-[2-[3-[[(5R)-5,8-dimethyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]ethyl]piperazin-1-yl]-2-methylpropan-2-ol;[(2S)-pyrrolidin-2-yl]methyl 2-[4-[2-[3-[[(5R)-5,8-dimethyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]ethyl]piperazin-1-yl]propanoate
• SMILES: CC(C(=O)OC[C@@H]1CCCN1)N1CCN(CCn2ccc(Nc3ncc4c(n3)-c3c(nn(C)c3-c3ccccc3)C[C@H]4C)n2)CC1.C[C@@H]1Cc2nn(C)c(-c3ccccc3)c2-c2nc(Nc3ccn(CCN4CCN(C)CC4)n3)ncc21.C[C@@H]1Cc2nn(C)c(-c3ccccc3)c2-c2nc(Nc3ccn(CCN4CCN(CC(C)(C)O)CC4)n3)ncc21.C[C@@H]1Cc2nn(C)c(-c3ccccc3)c2-c2nc(Nc3ccn(CCN4CCOCC4)n3)ncc21
• InChI: InChI=1S/C34H44N10O2.C30H39N9O.C27H33N9.C26H30N8O/c1-23-20-28-30(32(41(3)39-28)25-8-5-4-6-9-25)31-27(23)21-36-34(38-31)37-29-11-13-44(40-29)19-16-42-14-17-43(18-15-42)24(2)33(45)46-22-26-10-7-12-35-26;1-21-18-24-26(28(36(4)34-24)22-8-6-5-7-9-22)27-23(21)19-31-29(33-27)32-25-10-11-39(35-25)17-16-37-12-14-38(15-13-37)20-30(2,3)40;1-19-17-22-24(26(34(3)31-22)20-7-5-4-6-8-20)25-21(19)18-28-27(30-25)29-23-9-10-36(32-23)16-15-35-13-11-33(2)12-14-35;1-18-16-21-23(25(32(2)30-21)19-6-4-3-5-7-19)24-20(18)17-27-26(29-24)28-22-8-9-34(31-22)11-10-33-12-14-35-15-13-33/h4-6,8-9,11,13,21,23-24,26,35H,7,10,12,14-20,22H2,1-3H3,(H,36,37,38,40);5-11,19,21,40H,12-18,20H2,1-4H3,(H,31,32,33,35);4-10,18-19H,11-17H2,1-3H3,(H,28,29,30,32);3-9,17-18H,10-16H2,1-2H3,(H,27,28,29,31)/t23-,24?,26+;21-;19-;18-/m1111/s1
• InChIKey: AKKDPVHHICPJFS-BZJYJVPJSA-N
• XLogP: 13.84
• TPSA: 384.27 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 40
• Rotatable Bonds: 30
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2120.70
LogP ≤ 5	13.84
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of (5R)-5,8-dimethyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine;(5R)-5,8-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine;1-[4-[2-[3-[[(5R)-5,8-dimethyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]ethyl]piperazin-1-yl]-2-methylpropan-2-ol;[(2S)-pyrrolidin-2-yl]methyl 2-[4-[2-[3-[[(5R)-5,8-dimethyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]ethyl]piperazin-1-yl]propanoate?

The IUPAC name of (5R)-5,8-dimethyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine;(5R)-5,8-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine;1-[4-[2-[3-[[(5R)-5,8-dimethyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]ethyl]piperazin-1-yl]-2-methylpropan-2-ol;[(2S)-pyrrolidin-2-yl]methyl 2-[4-[2-[3-[[(5R)-5,8-dimethyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]ethyl]piperazin-1-yl]propanoate (CID 157143117) is (5R)-5,8-dimethyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine;(5R)-5,8-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine;1-[4-[2-[3-[[(5R)-5,8-dimethyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]ethyl]piperazin-1-yl]-2-methylpropan-2-ol;[(2S)-pyrrolidin-2-yl]methyl 2-[4-[2-[3-[[(5R)-5,8-dimethyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]ethyl]piperazin-1-yl]propanoate.

What is the SMILES notation for (5R)-5,8-dimethyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine;(5R)-5,8-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine;1-[4-[2-[3-[[(5R)-5,8-dimethyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]ethyl]piperazin-1-yl]-2-methylpropan-2-ol;[(2S)-pyrrolidin-2-yl]methyl 2-[4-[2-[3-[[(5R)-5,8-dimethyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]ethyl]piperazin-1-yl]propanoate?

The canonical SMILES for (5R)-5,8-dimethyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine;(5R)-5,8-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine;1-[4-[2-[3-[[(5R)-5,8-dimethyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]ethyl]piperazin-1-yl]-2-methylpropan-2-ol;[(2S)-pyrrolidin-2-yl]methyl 2-[4-[2-[3-[[(5R)-5,8-dimethyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]ethyl]piperazin-1-yl]propanoate is CC(C(=O)OC[C@@H]1CCCN1)N1CCN(CCn2ccc(Nc3ncc4c(n3)-c3c(nn(C)c3-c3ccccc3)C[C@H]4C)n2)CC1.C[C@@H]1Cc2nn(C)c(-c3ccccc3)c2-c2nc(Nc3ccn(CCN4CCN(C)CC4)n3)ncc21.C[C@@H]1Cc2nn(C)c(-c3ccccc3)c2-c2nc(Nc3ccn(CCN4CCN(CC(C)(C)O)CC4)n3)ncc21.C[C@@H]1Cc2nn(C)c(-c3ccccc3)c2-c2nc(Nc3ccn(CCN4CCOCC4)n3)ncc21.

What is the InChIKey of (5R)-5,8-dimethyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine;(5R)-5,8-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine;1-[4-[2-[3-[[(5R)-5,8-dimethyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]ethyl]piperazin-1-yl]-2-methylpropan-2-ol;[(2S)-pyrrolidin-2-yl]methyl 2-[4-[2-[3-[[(5R)-5,8-dimethyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]ethyl]piperazin-1-yl]propanoate?

The InChIKey is AKKDPVHHICPJFS-BZJYJVPJSA-N. The full InChI is InChI=1S/C34H44N10O2.C30H39N9O.C27H33N9.C26H30N8O/c1-23-20-28-30(32(41(3)39-28)25-8-5-4-6-9-25)31-27(23)21-36-34(38-31)37-29-11-13-44(40-29)19-16-42-14-17-43(18-15-42)24(2)33(45)46-22-26-10-7-12-35-26;1-21-18-24-26(28(36(4)34-24)22-8-6-5-7-9-22)27-23(21)19-31-29(33-27)32-25-10-11-39(35-25)17-16-37-12-14-38(15-13-37)20-30(2,3)40;1-19-17-22-24(26(34(3)31-22)20-7-5-4-6-8-20)25-21(19)18-28-27(30-25)29-23-9-10-36(32-23)16-15-35-13-11-33(2)12-14-35;1-18-16-21-23(25(32(2)30-21)19-6-4-3-5-7-19)24-20(18)17-27-26(29-24)28-22-8-9-34(31-22)11-10-33-12-14-35-15-13-33/h4-6,8-9,11,13,21,23-24,26,35H,7,10,12,14-20,22H2,1-3H3,(H,36,37,38,40);5-11,19,21,40H,12-18,20H2,1-4H3,(H,31,32,33,35);4-10,18-19H,11-17H2,1-3H3,(H,28,29,30,32);3-9,17-18H,10-16H2,1-2H3,(H,27,28,29,31)/t23-,24?,26+;21-;19-;18-/m1111/s1.

What are the key properties of (5R)-5,8-dimethyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine;(5R)-5,8-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine;1-[4-[2-[3-[[(5R)-5,8-dimethyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]ethyl]piperazin-1-yl]-2-methylpropan-2-ol;[(2S)-pyrrolidin-2-yl]methyl 2-[4-[2-[3-[[(5R)-5,8-dimethyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]ethyl]piperazin-1-yl]propanoate?

(5R)-5,8-dimethyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine;(5R)-5,8-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine;1-[4-[2-[3-[[(5R)-5,8-dimethyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]ethyl]piperazin-1-yl]-2-methylpropan-2-ol;[(2S)-pyrrolidin-2-yl]methyl 2-[4-[2-[3-[[(5R)-5,8-dimethyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]ethyl]piperazin-1-yl]propanoate has a molecular weight of 2120.70 g/mol, XLogP of 13.84, 30 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5,8-dimethyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine;(5R)-5,8-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine;1-[4-[2-[3-[[(5R)-5,8-dimethyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]ethyl]piperazin-1-yl]-2-methylpropan-2-ol;[(2S)-pyrrolidin-2-yl]methyl 2-[4-[2-[3-[[(5R)-5,8-dimethyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]ethyl]piperazin-1-yl]propanoate is sourced from PubChem (CID 157143117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).