[(2S)-1-[6-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;4,6-dichloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;[(2S)-1-[6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine

C69H90Cl3N21O10 — CID 167577785

About [(2S)-1-[6-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;4,6-dichloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;[(2S)-1-[6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine

[(2S)-1-[6-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;4,6-dichloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;[(2S)-1-[6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine (PubChem CID 167577785) has the molecular formula C69H90Cl3N21O10 and a molecular weight of 1479.97 g/mol. Its IUPAC name is [(2S)-1-[6-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;4,6-dichloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;[(2S)-1-[6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine.

Molecular Properties

• Compound Name: [(2S)-1-[6-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;4,6-dichloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;[(2S)-1-[6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
• PubChem CID: 167577785
• Molecular Formula: C69H90Cl3N21O10
• Molecular Weight: 1479.97 g/mol
• Exact Mass: 1477.62
• IUPAC Name: [(2S)-1-[6-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;4,6-dichloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;[(2S)-1-[6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
• SMILES: COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4CO)c4cnn(C5CCCCO5)c4n3)c2)cc(C)c1C.Clc1nc(Cl)c2cnn(C3CCCCO3)c2n1.OC[C@@H]1CCCN1.OC[C@@H]1CCCN1c1nc(Cl)nc2c1cnn2C1CCCCO1
• InChI: InChI=1S/C27H34N8O3.C15H20ClN5O2.C12H15N3O3.C10H10Cl2N4O.C5H11NO/c1-17-11-20(12-22(37-3)18(17)2)33-14-23(28-16-33)30-27-31-25(34-9-6-7-19(34)15-36)21-13-29-35(26(21)32-27)24-8-4-5-10-38-24;16-15-18-13(20-6-3-4-10(20)9-22)11-8-17-21(14(11)19-15)12-5-1-2-7-23-12;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;11-8-6-5-13-16(7-3-1-2-4-17-7)9(6)15-10(12)14-8;7-4-5-2-1-3-6-5/h11-14,16,19,24,36H,4-10,15H2,1-3H3,(H,30,31,32);8,10,12,22H,1-7,9H2;4-7H,13H2,1-3H3;5,7H,1-4H2;5-7H,1-4H2/t19-,24?;10-,12?;;;5-/m00..0/s1
• InChIKey: GTSLYSOYGCHQIO-GQQKKUQGSA-N
• XLogP: 10.22
• TPSA: 348.30 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 16
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1479.97
LogP ≤ 5	10.22
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[6-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;4,6-dichloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;[(2S)-1-[6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

The IUPAC name of [(2S)-1-[6-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;4,6-dichloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;[(2S)-1-[6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine (CID 167577785) is [(2S)-1-[6-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;4,6-dichloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;[(2S)-1-[6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine.

What is the SMILES notation for [(2S)-1-[6-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;4,6-dichloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;[(2S)-1-[6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

The canonical SMILES for [(2S)-1-[6-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;4,6-dichloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;[(2S)-1-[6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine is COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4CO)c4cnn(C5CCCCO5)c4n3)c2)cc(C)c1C.Clc1nc(Cl)c2cnn(C3CCCCO3)c2n1.OC[C@@H]1CCCN1.OC[C@@H]1CCCN1c1nc(Cl)nc2c1cnn2C1CCCCO1.

What is the InChIKey of [(2S)-1-[6-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;4,6-dichloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;[(2S)-1-[6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

The InChIKey is GTSLYSOYGCHQIO-GQQKKUQGSA-N. The full InChI is InChI=1S/C27H34N8O3.C15H20ClN5O2.C12H15N3O3.C10H10Cl2N4O.C5H11NO/c1-17-11-20(12-22(37-3)18(17)2)33-14-23(28-16-33)30-27-31-25(34-9-6-7-19(34)15-36)21-13-29-35(26(21)32-27)24-8-4-5-10-38-24;16-15-18-13(20-6-3-4-10(20)9-22)11-8-17-21(14(11)19-15)12-5-1-2-7-23-12;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;11-8-6-5-13-16(7-3-1-2-4-17-7)9(6)15-10(12)14-8;7-4-5-2-1-3-6-5/h11-14,16,19,24,36H,4-10,15H2,1-3H3,(H,30,31,32);8,10,12,22H,1-7,9H2;4-7H,13H2,1-3H3;5,7H,1-4H2;5-7H,1-4H2/t19-,24?;10-,12?;;;5-/m00..0/s1.

What are the key properties of [(2S)-1-[6-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;4,6-dichloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;[(2S)-1-[6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

[(2S)-1-[6-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;4,6-dichloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;[(2S)-1-[6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine has a molecular weight of 1479.97 g/mol, XLogP of 10.22, 16 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-1-[6-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;4,6-dichloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidine;[(2S)-1-[6-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine is sourced from PubChem (CID 167577785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).