1-[4-[[(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]cyclohexyl]-3-phenylpropan-1-ol;(1S)-3-phenyl-1-[3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]cyclobutyl]propan-1-ol;(1R)-3-phenyl-1-[3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]cyclobutyl]propan-1-ol;3-phenyl-1-[3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]cyclobutyl]propan-1-ol;(1R)-3-phenyl-1-[4-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]cyclohexyl]propan-1-ol;(1S)-3-phenyl-1-[4-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]cyclohexyl]propan-1-ol;3-phenyl-1-[4-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]cyclohexyl]propan-1-ol

C145H185N35O7 — CID 158477044

About 1-[4-[[(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]cyclohexyl]-3-phenylpropan-1-ol;(1S)-3-phenyl-1-[3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]cyclobutyl]propan-1-ol;(1R)-3-phenyl-1-[3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]cyclobutyl]propan-1-ol;3-phenyl-1-[3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]cyclobutyl]propan-1-ol;(1R)-3-phenyl-1-[4-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]cyclohexyl]propan-1-ol;(1S)-3-phenyl-1-[4-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]cyclohexyl]propan-1-ol;3-phenyl-1-[4-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]cyclohexyl]propan-1-ol

1-[4-[[(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]cyclohexyl]-3-phenylpropan-1-ol;(1S)-3-phenyl-1-[3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]cyclobutyl]propan-1-ol;(1R)-3-phenyl-1-[3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]cyclobutyl]propan-1-ol;3-phenyl-1-[3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]cyclobutyl]propan-1-ol;(1R)-3-phenyl-1-[4-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]cyclohexyl]propan-1-ol;(1S)-3-phenyl-1-[4-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]cyclohexyl]propan-1-ol;3-phenyl-1-[4-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]cyclohexyl]propan-1-ol (PubChem CID 158477044) has the molecular formula C145H185N35O7 and a molecular weight of 2530.31 g/mol. Its IUPAC name is 1-[4-[[(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]cyclohexyl]-3-phenylpropan-1-ol;(1S)-3-phenyl-1-[3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]cyclobutyl]propan-1-ol;(1R)-3-phenyl-1-[3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]cyclobutyl]propan-1-ol;3-phenyl-1-[3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]cyclobutyl]propan-1-ol;(1R)-3-phenyl-1-[4-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]cyclohexyl]propan-1-ol;(1S)-3-phenyl-1-[4-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]cyclohexyl]propan-1-ol;3-phenyl-1-[4-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]cyclohexyl]propan-1-ol.

Molecular Properties

• Compound Name: 1-[4-[[(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]cyclohexyl]-3-phenylpropan-1-ol;(1S)-3-phenyl-1-[3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]cyclobutyl]propan-1-ol;(1R)-3-phenyl-1-[3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]cyclobutyl]propan-1-ol;3-phenyl-1-[3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]cyclobutyl]propan-1-ol;(1R)-3-phenyl-1-[4-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]cyclohexyl]propan-1-ol;(1S)-3-phenyl-1-[4-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]cyclohexyl]propan-1-ol;3-phenyl-1-[4-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]cyclohexyl]propan-1-ol
• PubChem CID: 158477044
• Molecular Formula: C145H185N35O7
• Molecular Weight: 2530.31 g/mol
• Exact Mass: 2528.52
• IUPAC Name: 1-[4-[[(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]cyclohexyl]-3-phenylpropan-1-ol;(1S)-3-phenyl-1-[3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]cyclobutyl]propan-1-ol;(1R)-3-phenyl-1-[3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]cyclobutyl]propan-1-ol;3-phenyl-1-[3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]cyclobutyl]propan-1-ol;(1R)-3-phenyl-1-[4-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]cyclohexyl]propan-1-ol;(1S)-3-phenyl-1-[4-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]cyclohexyl]propan-1-ol;3-phenyl-1-[4-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]cyclohexyl]propan-1-ol
• SMILES: Cc1nc(NCC2CCC(C(O)CCc3ccccc3)CC2)c2cn[nH]c2n1.OC(CCc1ccccc1)C1CC(CCNc2ncnc3[nH]ncc23)C1.OC(CCc1ccccc1)C1CCC(CNc2ncnc3[nH]ncc23)CC1.O[C@@H](CCc1ccccc1)C1CC(CCNc2ncnc3[nH]ncc23)C1.O[C@@H](CCc1ccccc1)C1CCC(CNc2ncnc3[nH]ncc23)CC1.O[C@H](CCc1ccccc1)C1CC(CCNc2ncnc3[nH]ncc23)C1.O[C@H](CCc1ccccc1)C1CCC(CNc2ncnc3[nH]ncc23)CC1
• InChI: InChI=1S/C22H29N5O.3C21H27N5O.3C20H25N5O/c1-15-25-21(19-14-24-27-22(19)26-15)23-13-17-7-10-18(11-8-17)20(28)12-9-16-5-3-2-4-6-16;3*27-19(11-8-15-4-2-1-3-5-15)17-9-6-16(7-10-17)12-22-20-18-13-25-26-21(18)24-14-23-20;3*26-18(7-6-14-4-2-1-3-5-14)16-10-15(11-16)8-9-21-19-17-12-24-25-20(17)23-13-22-19/h2-6,14,17-18,20,28H,7-13H2,1H3,(H2,23,24,25,26,27);3*1-5,13-14,16-17,19,27H,6-12H2,(H2,22,23,24,25,26);3*1-5,12-13,15-16,18,26H,6-11H2,(H2,21,22,23,24,25)/t;2*16?,17?,19-;;2*15?,16?,18-;/m.10.10./s1
• InChIKey: HHBOJVFFBAZZHE-FWXNGPGLSA-N
• XLogP: 24.09
• TPSA: 607.04 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 35
• Rotatable Bonds: 52
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2530.31
LogP ≤ 5	24.09
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]cyclohexyl]-3-phenylpropan-1-ol;(1S)-3-phenyl-1-[3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]cyclobutyl]propan-1-ol;(1R)-3-phenyl-1-[3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]cyclobutyl]propan-1-ol;3-phenyl-1-[3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]cyclobutyl]propan-1-ol;(1R)-3-phenyl-1-[4-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]cyclohexyl]propan-1-ol;(1S)-3-phenyl-1-[4-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]cyclohexyl]propan-1-ol;3-phenyl-1-[4-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]cyclohexyl]propan-1-ol?

The IUPAC name of 1-[4-[[(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]cyclohexyl]-3-phenylpropan-1-ol;(1S)-3-phenyl-1-[3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]cyclobutyl]propan-1-ol;(1R)-3-phenyl-1-[3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]cyclobutyl]propan-1-ol;3-phenyl-1-[3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]cyclobutyl]propan-1-ol;(1R)-3-phenyl-1-[4-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]cyclohexyl]propan-1-ol;(1S)-3-phenyl-1-[4-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]cyclohexyl]propan-1-ol;3-phenyl-1-[4-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]cyclohexyl]propan-1-ol (CID 158477044) is 1-[4-[[(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]cyclohexyl]-3-phenylpropan-1-ol;(1S)-3-phenyl-1-[3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]cyclobutyl]propan-1-ol;(1R)-3-phenyl-1-[3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]cyclobutyl]propan-1-ol;3-phenyl-1-[3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]cyclobutyl]propan-1-ol;(1R)-3-phenyl-1-[4-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]cyclohexyl]propan-1-ol;(1S)-3-phenyl-1-[4-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]cyclohexyl]propan-1-ol;3-phenyl-1-[4-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]cyclohexyl]propan-1-ol.

What is the SMILES notation for 1-[4-[[(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]cyclohexyl]-3-phenylpropan-1-ol;(1S)-3-phenyl-1-[3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]cyclobutyl]propan-1-ol;(1R)-3-phenyl-1-[3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]cyclobutyl]propan-1-ol;3-phenyl-1-[3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]cyclobutyl]propan-1-ol;(1R)-3-phenyl-1-[4-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]cyclohexyl]propan-1-ol;(1S)-3-phenyl-1-[4-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]cyclohexyl]propan-1-ol;3-phenyl-1-[4-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]cyclohexyl]propan-1-ol?

The canonical SMILES for 1-[4-[[(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]cyclohexyl]-3-phenylpropan-1-ol;(1S)-3-phenyl-1-[3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]cyclobutyl]propan-1-ol;(1R)-3-phenyl-1-[3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]cyclobutyl]propan-1-ol;3-phenyl-1-[3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]cyclobutyl]propan-1-ol;(1R)-3-phenyl-1-[4-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]cyclohexyl]propan-1-ol;(1S)-3-phenyl-1-[4-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]cyclohexyl]propan-1-ol;3-phenyl-1-[4-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]cyclohexyl]propan-1-ol is Cc1nc(NCC2CCC(C(O)CCc3ccccc3)CC2)c2cn[nH]c2n1.OC(CCc1ccccc1)C1CC(CCNc2ncnc3[nH]ncc23)C1.OC(CCc1ccccc1)C1CCC(CNc2ncnc3[nH]ncc23)CC1.O[C@@H](CCc1ccccc1)C1CC(CCNc2ncnc3[nH]ncc23)C1.O[C@@H](CCc1ccccc1)C1CCC(CNc2ncnc3[nH]ncc23)CC1.O[C@H](CCc1ccccc1)C1CC(CCNc2ncnc3[nH]ncc23)C1.O[C@H](CCc1ccccc1)C1CCC(CNc2ncnc3[nH]ncc23)CC1.

What is the InChIKey of 1-[4-[[(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]cyclohexyl]-3-phenylpropan-1-ol;(1S)-3-phenyl-1-[3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]cyclobutyl]propan-1-ol;(1R)-3-phenyl-1-[3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]cyclobutyl]propan-1-ol;3-phenyl-1-[3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]cyclobutyl]propan-1-ol;(1R)-3-phenyl-1-[4-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]cyclohexyl]propan-1-ol;(1S)-3-phenyl-1-[4-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]cyclohexyl]propan-1-ol;3-phenyl-1-[4-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]cyclohexyl]propan-1-ol?

The InChIKey is HHBOJVFFBAZZHE-FWXNGPGLSA-N. The full InChI is InChI=1S/C22H29N5O.3C21H27N5O.3C20H25N5O/c1-15-25-21(19-14-24-27-22(19)26-15)23-13-17-7-10-18(11-8-17)20(28)12-9-16-5-3-2-4-6-16;3*27-19(11-8-15-4-2-1-3-5-15)17-9-6-16(7-10-17)12-22-20-18-13-25-26-21(18)24-14-23-20;3*26-18(7-6-14-4-2-1-3-5-14)16-10-15(11-16)8-9-21-19-17-12-24-25-20(17)23-13-22-19/h2-6,14,17-18,20,28H,7-13H2,1H3,(H2,23,24,25,26,27);3*1-5,13-14,16-17,19,27H,6-12H2,(H2,22,23,24,25,26);3*1-5,12-13,15-16,18,26H,6-11H2,(H2,21,22,23,24,25)/t;2*16?,17?,19-;;2*15?,16?,18-;/m.10.10./s1.

What are the key properties of 1-[4-[[(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]cyclohexyl]-3-phenylpropan-1-ol;(1S)-3-phenyl-1-[3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]cyclobutyl]propan-1-ol;(1R)-3-phenyl-1-[3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]cyclobutyl]propan-1-ol;3-phenyl-1-[3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]cyclobutyl]propan-1-ol;(1R)-3-phenyl-1-[4-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]cyclohexyl]propan-1-ol;(1S)-3-phenyl-1-[4-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]cyclohexyl]propan-1-ol;3-phenyl-1-[4-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]cyclohexyl]propan-1-ol?

1-[4-[[(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]cyclohexyl]-3-phenylpropan-1-ol;(1S)-3-phenyl-1-[3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]cyclobutyl]propan-1-ol;(1R)-3-phenyl-1-[3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]cyclobutyl]propan-1-ol;3-phenyl-1-[3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]cyclobutyl]propan-1-ol;(1R)-3-phenyl-1-[4-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]cyclohexyl]propan-1-ol;(1S)-3-phenyl-1-[4-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]cyclohexyl]propan-1-ol;3-phenyl-1-[4-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]cyclohexyl]propan-1-ol has a molecular weight of 2530.31 g/mol, XLogP of 24.09, 52 rotatable bonds, 21 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]methyl]cyclohexyl]-3-phenylpropan-1-ol;(1S)-3-phenyl-1-[3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]cyclobutyl]propan-1-ol;(1R)-3-phenyl-1-[3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]cyclobutyl]propan-1-ol;3-phenyl-1-[3-[2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]cyclobutyl]propan-1-ol;(1R)-3-phenyl-1-[4-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]cyclohexyl]propan-1-ol;(1S)-3-phenyl-1-[4-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]cyclohexyl]propan-1-ol;3-phenyl-1-[4-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]cyclohexyl]propan-1-ol is sourced from PubChem (CID 158477044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).