2-[4-[(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-6-[3-(3-methoxyphenyl)pyrazol-1-yl]pyrimidin-2-yl]oxyethanol;(3aR,6aR)-4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;(3aR,6aR)-4-[6-(3-phenylpyrazol-1-yl)-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-[2-(oxan-4-yl)ethoxy]pyrimidin-4-yl]morpholine;4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]morpholine

C121H138N26O18 — CID 163458960

About 2-[4-[(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-6-[3-(3-methoxyphenyl)pyrazol-1-yl]pyrimidin-2-yl]oxyethanol;(3aR,6aR)-4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;(3aR,6aR)-4-[6-(3-phenylpyrazol-1-yl)-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-[2-(oxan-4-yl)ethoxy]pyrimidin-4-yl]morpholine;4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]morpholine

2-[4-[(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-6-[3-(3-methoxyphenyl)pyrazol-1-yl]pyrimidin-2-yl]oxyethanol;(3aR,6aR)-4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;(3aR,6aR)-4-[6-(3-phenylpyrazol-1-yl)-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-[2-(oxan-4-yl)ethoxy]pyrimidin-4-yl]morpholine;4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]morpholine (PubChem CID 163458960) has the molecular formula C121H138N26O18 and a molecular weight of 2244.60 g/mol. Its IUPAC name is 2-[4-[(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-6-[3-(3-methoxyphenyl)pyrazol-1-yl]pyrimidin-2-yl]oxyethanol;(3aR,6aR)-4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;(3aR,6aR)-4-[6-(3-phenylpyrazol-1-yl)-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-[2-(oxan-4-yl)ethoxy]pyrimidin-4-yl]morpholine;4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]morpholine.

Molecular Properties

• Compound Name: 2-[4-[(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-6-[3-(3-methoxyphenyl)pyrazol-1-yl]pyrimidin-2-yl]oxyethanol;(3aR,6aR)-4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;(3aR,6aR)-4-[6-(3-phenylpyrazol-1-yl)-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-[2-(oxan-4-yl)ethoxy]pyrimidin-4-yl]morpholine;4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]morpholine
• PubChem CID: 163458960
• Molecular Formula: C121H138N26O18
• Molecular Weight: 2244.60 g/mol
• Exact Mass: 2243.07
• IUPAC Name: 2-[4-[(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-6-[3-(3-methoxyphenyl)pyrazol-1-yl]pyrimidin-2-yl]oxyethanol;(3aR,6aR)-4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;(3aR,6aR)-4-[6-(3-phenylpyrazol-1-yl)-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-[2-(oxan-4-yl)ethoxy]pyrimidin-4-yl]morpholine;4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]morpholine
• SMILES: COc1cccc(-c2ccn(-c3cc(N4CCOCC4)nc(OCC4CCCO4)n3)n2)c1.COc1cccc(-c2ccn(-c3cc(N4CCOCC4)nc(OCCC4CCOCC4)n3)n2)c1.COc1cccc(-c2ccn(-c3cc(N4CC[C@H]5OCC[C@H]54)nc(OCC4CCCO4)n3)n2)c1.COc1cccc(-c2ccn(-c3cc(N4CC[C@H]5OCC[C@H]54)nc(OCCO)n3)n2)c1.c1ccc(-c2ccn(-c3cc(N4CC[C@H]5OCC[C@H]54)nc(OCCc4ccccn4)n3)n2)cc1
• InChI: InChI=1S/C26H26N6O2.C25H29N5O4.C25H31N5O4.C23H27N5O4.C22H25N5O4/c1-2-6-19(7-3-1)21-9-15-32(30-21)25-18-24(31-14-10-23-22(31)12-17-33-23)28-26(29-25)34-16-11-20-8-4-5-13-27-20;1-31-18-5-2-4-17(14-18)20-7-11-30(28-20)24-15-23(29-10-8-22-21(29)9-13-33-22)26-25(27-24)34-16-19-6-3-12-32-19;1-31-21-4-2-3-20(17-21)22-5-9-30(28-22)24-18-23(29-10-15-33-16-11-29)26-25(27-24)34-14-8-19-6-12-32-13-7-19;1-29-18-5-2-4-17(14-18)20-7-8-28(26-20)22-15-21(27-9-12-30-13-10-27)24-23(25-22)32-16-19-6-3-11-31-19;1-29-16-4-2-3-15(13-16)17-5-9-27(25-17)21-14-20(23-22(24-21)31-12-10-28)26-8-6-19-18(26)7-11-30-19/h1-9,13,15,18,22-23H,10-12,14,16-17H2;2,4-5,7,11,14-15,19,21-22H,3,6,8-10,12-13,16H2,1H3;2-5,9,17-19H,6-8,10-16H2,1H3;2,4-5,7-8,14-15,19H,3,6,9-13,16H2,1H3;2-5,9,13-14,18-19,28H,6-8,10-12H2,1H3/t22-,23-;19?,21-,22-;;;18-,19-/m11..1/s1
• InChIKey: BMXHAFZDDVDFBT-QPCLYPEHSA-N
• XLogP: 15.16
• TPSA: 424.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 44
• Rotatable Bonds: 36
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2244.60
LogP ≤ 5	15.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-6-[3-(3-methoxyphenyl)pyrazol-1-yl]pyrimidin-2-yl]oxyethanol;(3aR,6aR)-4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;(3aR,6aR)-4-[6-(3-phenylpyrazol-1-yl)-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-[2-(oxan-4-yl)ethoxy]pyrimidin-4-yl]morpholine;4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]morpholine?

The IUPAC name of 2-[4-[(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-6-[3-(3-methoxyphenyl)pyrazol-1-yl]pyrimidin-2-yl]oxyethanol;(3aR,6aR)-4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;(3aR,6aR)-4-[6-(3-phenylpyrazol-1-yl)-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-[2-(oxan-4-yl)ethoxy]pyrimidin-4-yl]morpholine;4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]morpholine (CID 163458960) is 2-[4-[(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-6-[3-(3-methoxyphenyl)pyrazol-1-yl]pyrimidin-2-yl]oxyethanol;(3aR,6aR)-4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;(3aR,6aR)-4-[6-(3-phenylpyrazol-1-yl)-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-[2-(oxan-4-yl)ethoxy]pyrimidin-4-yl]morpholine;4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]morpholine.

What is the SMILES notation for 2-[4-[(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-6-[3-(3-methoxyphenyl)pyrazol-1-yl]pyrimidin-2-yl]oxyethanol;(3aR,6aR)-4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;(3aR,6aR)-4-[6-(3-phenylpyrazol-1-yl)-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-[2-(oxan-4-yl)ethoxy]pyrimidin-4-yl]morpholine;4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]morpholine?

The canonical SMILES for 2-[4-[(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-6-[3-(3-methoxyphenyl)pyrazol-1-yl]pyrimidin-2-yl]oxyethanol;(3aR,6aR)-4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;(3aR,6aR)-4-[6-(3-phenylpyrazol-1-yl)-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-[2-(oxan-4-yl)ethoxy]pyrimidin-4-yl]morpholine;4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]morpholine is COc1cccc(-c2ccn(-c3cc(N4CCOCC4)nc(OCC4CCCO4)n3)n2)c1.COc1cccc(-c2ccn(-c3cc(N4CCOCC4)nc(OCCC4CCOCC4)n3)n2)c1.COc1cccc(-c2ccn(-c3cc(N4CC[C@H]5OCC[C@H]54)nc(OCC4CCCO4)n3)n2)c1.COc1cccc(-c2ccn(-c3cc(N4CC[C@H]5OCC[C@H]54)nc(OCCO)n3)n2)c1.c1ccc(-c2ccn(-c3cc(N4CC[C@H]5OCC[C@H]54)nc(OCCc4ccccn4)n3)n2)cc1.

What is the InChIKey of 2-[4-[(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-6-[3-(3-methoxyphenyl)pyrazol-1-yl]pyrimidin-2-yl]oxyethanol;(3aR,6aR)-4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;(3aR,6aR)-4-[6-(3-phenylpyrazol-1-yl)-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-[2-(oxan-4-yl)ethoxy]pyrimidin-4-yl]morpholine;4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]morpholine?

The InChIKey is BMXHAFZDDVDFBT-QPCLYPEHSA-N. The full InChI is InChI=1S/C26H26N6O2.C25H29N5O4.C25H31N5O4.C23H27N5O4.C22H25N5O4/c1-2-6-19(7-3-1)21-9-15-32(30-21)25-18-24(31-14-10-23-22(31)12-17-33-23)28-26(29-25)34-16-11-20-8-4-5-13-27-20;1-31-18-5-2-4-17(14-18)20-7-11-30(28-20)24-15-23(29-10-8-22-21(29)9-13-33-22)26-25(27-24)34-16-19-6-3-12-32-19;1-31-21-4-2-3-20(17-21)22-5-9-30(28-22)24-18-23(29-10-15-33-16-11-29)26-25(27-24)34-14-8-19-6-12-32-13-7-19;1-29-18-5-2-4-17(14-18)20-7-8-28(26-20)22-15-21(27-9-12-30-13-10-27)24-23(25-22)32-16-19-6-3-11-31-19;1-29-16-4-2-3-15(13-16)17-5-9-27(25-17)21-14-20(23-22(24-21)31-12-10-28)26-8-6-19-18(26)7-11-30-19/h1-9,13,15,18,22-23H,10-12,14,16-17H2;2,4-5,7,11,14-15,19,21-22H,3,6,8-10,12-13,16H2,1H3;2-5,9,17-19H,6-8,10-16H2,1H3;2,4-5,7-8,14-15,19H,3,6,9-13,16H2,1H3;2-5,9,13-14,18-19,28H,6-8,10-12H2,1H3/t22-,23-;19?,21-,22-;;;18-,19-/m11..1/s1.

What are the key properties of 2-[4-[(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-6-[3-(3-methoxyphenyl)pyrazol-1-yl]pyrimidin-2-yl]oxyethanol;(3aR,6aR)-4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;(3aR,6aR)-4-[6-(3-phenylpyrazol-1-yl)-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-[2-(oxan-4-yl)ethoxy]pyrimidin-4-yl]morpholine;4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]morpholine?

2-[4-[(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-6-[3-(3-methoxyphenyl)pyrazol-1-yl]pyrimidin-2-yl]oxyethanol;(3aR,6aR)-4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;(3aR,6aR)-4-[6-(3-phenylpyrazol-1-yl)-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-[2-(oxan-4-yl)ethoxy]pyrimidin-4-yl]morpholine;4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]morpholine has a molecular weight of 2244.60 g/mol, XLogP of 15.16, 36 rotatable bonds, 1 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-6-[3-(3-methoxyphenyl)pyrazol-1-yl]pyrimidin-2-yl]oxyethanol;(3aR,6aR)-4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;(3aR,6aR)-4-[6-(3-phenylpyrazol-1-yl)-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrole;4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-[2-(oxan-4-yl)ethoxy]pyrimidin-4-yl]morpholine;4-[6-[3-(3-methoxyphenyl)pyrazol-1-yl]-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 163458960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).