(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(6-fluoro-1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[6-(1,4-dimethylpyrazol-5-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[4-(2-ethylpyrazol-3-yl)-6-(6-fluoro-1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[6-(2-ethylpyrazol-3-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine

C110H118F2N30O5 — CID 158560828

About (3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(6-fluoro-1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[6-(1,4-dimethylpyrazol-5-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[4-(2-ethylpyrazol-3-yl)-6-(6-fluoro-1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[6-(2-ethylpyrazol-3-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine

(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(6-fluoro-1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[6-(1,4-dimethylpyrazol-5-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[4-(2-ethylpyrazol-3-yl)-6-(6-fluoro-1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[6-(2-ethylpyrazol-3-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine (PubChem CID 158560828) has the molecular formula C110H118F2N30O5 and a molecular weight of 1978.35 g/mol. Its IUPAC name is (3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(6-fluoro-1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[6-(1,4-dimethylpyrazol-5-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[4-(2-ethylpyrazol-3-yl)-6-(6-fluoro-1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[6-(2-ethylpyrazol-3-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine.

Molecular Properties

• Compound Name: (3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(6-fluoro-1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[6-(1,4-dimethylpyrazol-5-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[4-(2-ethylpyrazol-3-yl)-6-(6-fluoro-1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[6-(2-ethylpyrazol-3-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine
• PubChem CID: 158560828
• Molecular Formula: C110H118F2N30O5
• Molecular Weight: 1978.35 g/mol
• Exact Mass: 1976.99
• IUPAC Name: (3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(6-fluoro-1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[6-(1,4-dimethylpyrazol-5-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[4-(2-ethylpyrazol-3-yl)-6-(6-fluoro-1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[6-(2-ethylpyrazol-3-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine
• SMILES: CCn1nccc1-c1cc(-c2cc(F)cc3[nH]ccc23)nc(N2CCOC[C@H]2C)n1.CCn1nccc1-c1cc(N2CCOC[C@H]2C)nc(-c2cccc3[nH]ccc23)n1.Cc1cnn(C)c1-c1cc(-c2cc(F)cc3[nH]ccc23)nc(N2CCOC[C@H]2C)n1.Cc1cnn(C)c1-c1cc(-c2cccc3[nH]ccc23)nc(N2CCOC[C@H]2C)n1.Cc1cnn(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2cccc3[nH]ccc23)n1
• InChI: InChI=1S/2C22H23FN6O.3C22H24N6O/c1-13-11-25-28(3)21(13)20-10-19(17-8-15(23)9-18-16(17)4-5-24-18)26-22(27-20)29-6-7-30-12-14(29)2;1-3-29-21(5-7-25-29)20-12-19(17-10-15(23)11-18-16(17)4-6-24-18)26-22(27-20)28-8-9-30-13-14(28)2;1-14-12-24-27(3)21(14)19-11-20(28-9-10-29-13-15(28)2)26-22(25-19)17-5-4-6-18-16(17)7-8-23-18;1-14-12-24-27(3)21(14)20-11-19(16-5-4-6-18-17(16)7-8-23-18)25-22(26-20)28-9-10-29-13-15(28)2;1-3-28-20(8-10-24-28)19-13-21(27-11-12-29-14-15(27)2)26-22(25-19)17-5-4-6-18-16(17)7-9-23-18/h4-5,8-11,14,24H,6-7,12H2,1-3H3;4-7,10-12,14,24H,3,8-9,13H2,1-2H3;2*4-8,11-12,15,23H,9-10,13H2,1-3H3;4-10,13,15,23H,3,11-12,14H2,1-2H3/t2*14-;3*15-/m11111/s1
• InChIKey: HQWCVIQQJSBHLI-GCUKDNECSA-N
• XLogP: 18.42
• TPSA: 359.30 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 17
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1978.35
LogP ≤ 5	18.42
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(6-fluoro-1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[6-(1,4-dimethylpyrazol-5-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[4-(2-ethylpyrazol-3-yl)-6-(6-fluoro-1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[6-(2-ethylpyrazol-3-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine?

The IUPAC name of (3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(6-fluoro-1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[6-(1,4-dimethylpyrazol-5-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[4-(2-ethylpyrazol-3-yl)-6-(6-fluoro-1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[6-(2-ethylpyrazol-3-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine (CID 158560828) is (3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(6-fluoro-1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[6-(1,4-dimethylpyrazol-5-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[4-(2-ethylpyrazol-3-yl)-6-(6-fluoro-1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[6-(2-ethylpyrazol-3-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine.

What is the SMILES notation for (3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(6-fluoro-1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[6-(1,4-dimethylpyrazol-5-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[4-(2-ethylpyrazol-3-yl)-6-(6-fluoro-1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[6-(2-ethylpyrazol-3-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine?

The canonical SMILES for (3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(6-fluoro-1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[6-(1,4-dimethylpyrazol-5-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[4-(2-ethylpyrazol-3-yl)-6-(6-fluoro-1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[6-(2-ethylpyrazol-3-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine is CCn1nccc1-c1cc(-c2cc(F)cc3[nH]ccc23)nc(N2CCOC[C@H]2C)n1.CCn1nccc1-c1cc(N2CCOC[C@H]2C)nc(-c2cccc3[nH]ccc23)n1.Cc1cnn(C)c1-c1cc(-c2cc(F)cc3[nH]ccc23)nc(N2CCOC[C@H]2C)n1.Cc1cnn(C)c1-c1cc(-c2cccc3[nH]ccc23)nc(N2CCOC[C@H]2C)n1.Cc1cnn(C)c1-c1cc(N2CCOC[C@H]2C)nc(-c2cccc3[nH]ccc23)n1.

What is the InChIKey of (3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(6-fluoro-1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[6-(1,4-dimethylpyrazol-5-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[4-(2-ethylpyrazol-3-yl)-6-(6-fluoro-1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[6-(2-ethylpyrazol-3-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine?

The InChIKey is HQWCVIQQJSBHLI-GCUKDNECSA-N. The full InChI is InChI=1S/2C22H23FN6O.3C22H24N6O/c1-13-11-25-28(3)21(13)20-10-19(17-8-15(23)9-18-16(17)4-5-24-18)26-22(27-20)29-6-7-30-12-14(29)2;1-3-29-21(5-7-25-29)20-12-19(17-10-15(23)11-18-16(17)4-6-24-18)26-22(27-20)28-8-9-30-13-14(28)2;1-14-12-24-27(3)21(14)19-11-20(28-9-10-29-13-15(28)2)26-22(25-19)17-5-4-6-18-16(17)7-8-23-18;1-14-12-24-27(3)21(14)20-11-19(16-5-4-6-18-17(16)7-8-23-18)25-22(26-20)28-9-10-29-13-15(28)2;1-3-28-20(8-10-24-28)19-13-21(27-11-12-29-14-15(27)2)26-22(25-19)17-5-4-6-18-16(17)7-9-23-18/h4-5,8-11,14,24H,6-7,12H2,1-3H3;4-7,10-12,14,24H,3,8-9,13H2,1-2H3;2*4-8,11-12,15,23H,9-10,13H2,1-3H3;4-10,13,15,23H,3,11-12,14H2,1-2H3/t2*14-;3*15-/m11111/s1.

What are the key properties of (3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(6-fluoro-1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[6-(1,4-dimethylpyrazol-5-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[4-(2-ethylpyrazol-3-yl)-6-(6-fluoro-1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[6-(2-ethylpyrazol-3-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine?

(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(6-fluoro-1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[6-(1,4-dimethylpyrazol-5-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[4-(2-ethylpyrazol-3-yl)-6-(6-fluoro-1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[6-(2-ethylpyrazol-3-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine has a molecular weight of 1978.35 g/mol, XLogP of 18.42, 17 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(6-fluoro-1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[6-(1,4-dimethylpyrazol-5-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[4-(2-ethylpyrazol-3-yl)-6-(6-fluoro-1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[6-(2-ethylpyrazol-3-yl)-2-(1H-indol-4-yl)pyrimidin-4-yl]-3-methylmorpholine is sourced from PubChem (CID 158560828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).