1-[3-(3-tert-butyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-ethenylphenoxy]-3-(methylamino)propan-2-ol;1-[3-[3-tert-butyl-7-(oxan-4-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-(3-cyclopropyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-methoxyphenoxy]-3-(methylamino)propan-2-ol;1-[3-ethyl-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]-3-(methylamino)propan-2-ol;3-[2-hydroxy-3-(methylamino)propoxy]-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzonitrile

C124H166N26O16 — CID 157467047

IUPAC1-[3-(3-tert-butyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-ethenylphenoxy]-3-(methylamino)propan-2-ol;1-[3-[3-tert-butyl-7-(oxan-4-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-(3-cyclopropyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-methoxyphenoxy]-3-(methylamino)propan-2-ol;1-[3-ethyl-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]-3-(methylamino)propan-2-ol;3-[2-hydroxy-3-(methylamino)propoxy]-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzonitrile
SMILESC=Cc1cc(OCC(O)CNC)cc(-c2cc(N3CCOCC3)n3ncc(C(C)(C)C)c3n2)c1.CCc1cc(OCC(O)CNC)cc(-c2cc(N3CCOCC3)n3ncc(C(C)C)c3n2)c1.CNCC(O)COc1cc(C#N)cc(-c2cc(N3CCOCC3)n3ncc(C(C)C)c3n2)c1.CNCC(O)COc1cc(OC)cc(-c2cc(N3CCOCC3)n3ncc(C4CC4)c3n2)c1.CNCC(O)COc1cccc(-c2cc(NC3CCOCC3)n3ncc(C(C)(C)C)c3n2)c1
InChIInChI=1S/C26H35N5O3.2C25H35N5O3.C24H30N6O3.C24H31N5O4/c1-6-18-11-19(13-21(12-18)34-17-20(32)15-27-5)23-14-24(30-7-9-33-10-8-30)31-25(29-23)22(16-28-31)26(2,3)4;1-25(2,3)21-15-27-30-23(28-18-8-10-32-11-9-18)13-22(29-24(21)30)17-6-5-7-20(12-17)33-16-19(31)14-26-4;1-5-18-10-19(12-21(11-18)33-16-20(31)14-26-4)23-13-24(29-6-8-32-9-7-29)30-25(28-23)22(15-27-30)17(2)3;1-16(2)21-14-27-30-23(29-4-6-32-7-5-29)11-22(28-24(21)30)18-8-17(12-25)9-20(10-18)33-15-19(31)13-26-3;1-25-13-18(30)15-33-20-10-17(9-19(11-20)31-2)22-12-23(28-5-7-32-8-6-28)29-24(27-22)21(14-26-29)16-3-4-16/h6,11-14,16,20,27,32H,1,7-10,15,17H2,2-5H3;5-7,12-13,15,18-19,26,28,31H,8-11,14,16H2,1-4H3;10-13,15,17,20,26,31H,5-9,14,16H2,1-4H3;8-11,14,16,19,26,31H,4-7,13,15H2,1-3H3;9-12,14,16,18,25,30H,3-8,13,15H2,1-2H3
InChIKeyBUPHQRSOINJSNH-UHFFFAOYSA-N
MW2276.86 g/mol
LogP13.52
Rot. Bonds42

About 1-[3-(3-tert-butyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-ethenylphenoxy]-3-(methylamino)propan-2-ol;1-[3-[3-tert-butyl-7-(oxan-4-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-(3-cyclopropyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-methoxyphenoxy]-3-(methylamino)propan-2-ol;1-[3-ethyl-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]-3-(methylamino)propan-2-ol;3-[2-hydroxy-3-(methylamino)propoxy]-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzonitrile

1-[3-(3-tert-butyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-ethenylphenoxy]-3-(methylamino)propan-2-ol;1-[3-[3-tert-butyl-7-(oxan-4-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-(3-cyclopropyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-methoxyphenoxy]-3-(methylamino)propan-2-ol;1-[3-ethyl-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]-3-(methylamino)propan-2-ol;3-[2-hydroxy-3-(methylamino)propoxy]-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzonitrile (PubChem CID 157467047) has the molecular formula C124H166N26O16 and a molecular weight of 2276.86 g/mol. Its IUPAC name is 1-[3-(3-tert-butyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-ethenylphenoxy]-3-(methylamino)propan-2-ol;1-[3-[3-tert-butyl-7-(oxan-4-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-(3-cyclopropyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-methoxyphenoxy]-3-(methylamino)propan-2-ol;1-[3-ethyl-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]-3-(methylamino)propan-2-ol;3-[2-hydroxy-3-(methylamino)propoxy]-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzonitrile.

Molecular Properties

Compound Name1-[3-(3-tert-butyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-ethenylphenoxy]-3-(methylamino)propan-2-ol;1-[3-[3-tert-butyl-7-(oxan-4-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-(3-cyclopropyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-methoxyphenoxy]-3-(methylamino)propan-2-ol;1-[3-ethyl-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]-3-(methylamino)propan-2-ol;3-[2-hydroxy-3-(methylamino)propoxy]-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzonitrile
PubChem CID157467047
Molecular FormulaC124H166N26O16
Molecular Weight2276.86 g/mol
Exact Mass2275.30
IUPAC Name1-[3-(3-tert-butyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-ethenylphenoxy]-3-(methylamino)propan-2-ol;1-[3-[3-tert-butyl-7-(oxan-4-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-(3-cyclopropyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-methoxyphenoxy]-3-(methylamino)propan-2-ol;1-[3-ethyl-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]-3-(methylamino)propan-2-ol;3-[2-hydroxy-3-(methylamino)propoxy]-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzonitrile
SMILESC=Cc1cc(OCC(O)CNC)cc(-c2cc(N3CCOCC3)n3ncc(C(C)(C)C)c3n2)c1.CCc1cc(OCC(O)CNC)cc(-c2cc(N3CCOCC3)n3ncc(C(C)C)c3n2)c1.CNCC(O)COc1cc(C#N)cc(-c2cc(N3CCOCC3)n3ncc(C(C)C)c3n2)c1.CNCC(O)COc1cc(OC)cc(-c2cc(N3CCOCC3)n3ncc(C4CC4)c3n2)c1.CNCC(O)COc1cccc(-c2cc(NC3CCOCC3)n3ncc(C(C)(C)C)c3n2)c1
InChIInChI=1S/C26H35N5O3.2C25H35N5O3.C24H30N6O3.C24H31N5O4/c1-6-18-11-19(13-21(12-18)34-17-20(32)15-27-5)23-14-24(30-7-9-33-10-8-30)31-25(29-23)22(16-28-31)26(2,3)4;1-25(2,3)21-15-27-30-23(28-18-8-10-32-11-9-18)13-22(29-24(21)30)17-6-5-7-20(12-17)33-16-19(31)14-26-4;1-5-18-10-19(12-21(11-18)33-16-20(31)14-26-4)23-13-24(29-6-8-32-9-7-29)30-25(28-23)22(15-27-30)17(2)3;1-16(2)21-14-27-30-23(29-4-6-32-7-5-29)11-22(28-24(21)30)18-8-17(12-25)9-20(10-18)33-15-19(31)13-26-3;1-25-13-18(30)15-33-20-10-17(9-19(11-20)31-2)22-12-23(28-5-7-32-8-6-28)29-24(27-22)21(14-26-29)16-3-4-16/h6,11-14,16,20,27,32H,1,7-10,15,17H2,2-5H3;5-7,12-13,15,18-19,26,28,31H,8-11,14,16H2,1-4H3;10-13,15,17,20,26,31H,5-9,14,16H2,1-4H3;8-11,14,16,19,26,31H,4-7,13,15H2,1-3H3;9-12,14,16,18,25,30H,3-8,13,15H2,1-2H3
InChIKeyBUPHQRSOINJSNH-UHFFFAOYSA-N
XLogP13.52
TPSA462.56 Ų
H-Bond Donors11
H-Bond Acceptors42
Rotatable Bonds42
Heavy Atoms166
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002276.86
LogP ≤ 513.52
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1042

Analyze 1-[3-(3-tert-butyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-ethenylphenoxy]-3-(methylamino)propan-2-ol;1-[3-[3-tert-butyl-7-(oxan-4-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-(3-cyclopropyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-methoxyphenoxy]-3-(methylamino)propan-2-ol;1-[3-ethyl-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]-3-(methylamino)propan-2-ol;3-[2-hydroxy-3-(methylamino)propoxy]-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-tert-butyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-ethenylphenoxy]-3-(methylamino)propan-2-ol;1-[3-[3-tert-butyl-7-(oxan-4-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-(3-cyclopropyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-methoxyphenoxy]-3-(methylamino)propan-2-ol;1-[3-ethyl-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]-3-(methylamino)propan-2-ol;3-[2-hydroxy-3-(methylamino)propoxy]-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzonitrile?
The IUPAC name of 1-[3-(3-tert-butyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-ethenylphenoxy]-3-(methylamino)propan-2-ol;1-[3-[3-tert-butyl-7-(oxan-4-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-(3-cyclopropyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-methoxyphenoxy]-3-(methylamino)propan-2-ol;1-[3-ethyl-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]-3-(methylamino)propan-2-ol;3-[2-hydroxy-3-(methylamino)propoxy]-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzonitrile (CID 157467047) is 1-[3-(3-tert-butyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-ethenylphenoxy]-3-(methylamino)propan-2-ol;1-[3-[3-tert-butyl-7-(oxan-4-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-(3-cyclopropyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-methoxyphenoxy]-3-(methylamino)propan-2-ol;1-[3-ethyl-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]-3-(methylamino)propan-2-ol;3-[2-hydroxy-3-(methylamino)propoxy]-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzonitrile.
What is the SMILES notation for 1-[3-(3-tert-butyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-ethenylphenoxy]-3-(methylamino)propan-2-ol;1-[3-[3-tert-butyl-7-(oxan-4-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-(3-cyclopropyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-methoxyphenoxy]-3-(methylamino)propan-2-ol;1-[3-ethyl-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]-3-(methylamino)propan-2-ol;3-[2-hydroxy-3-(methylamino)propoxy]-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzonitrile?
The canonical SMILES for 1-[3-(3-tert-butyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-ethenylphenoxy]-3-(methylamino)propan-2-ol;1-[3-[3-tert-butyl-7-(oxan-4-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-(3-cyclopropyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-methoxyphenoxy]-3-(methylamino)propan-2-ol;1-[3-ethyl-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]-3-(methylamino)propan-2-ol;3-[2-hydroxy-3-(methylamino)propoxy]-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzonitrile is C=Cc1cc(OCC(O)CNC)cc(-c2cc(N3CCOCC3)n3ncc(C(C)(C)C)c3n2)c1.CCc1cc(OCC(O)CNC)cc(-c2cc(N3CCOCC3)n3ncc(C(C)C)c3n2)c1.CNCC(O)COc1cc(C#N)cc(-c2cc(N3CCOCC3)n3ncc(C(C)C)c3n2)c1.CNCC(O)COc1cc(OC)cc(-c2cc(N3CCOCC3)n3ncc(C4CC4)c3n2)c1.CNCC(O)COc1cccc(-c2cc(NC3CCOCC3)n3ncc(C(C)(C)C)c3n2)c1.
What is the InChIKey of 1-[3-(3-tert-butyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-ethenylphenoxy]-3-(methylamino)propan-2-ol;1-[3-[3-tert-butyl-7-(oxan-4-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-(3-cyclopropyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-methoxyphenoxy]-3-(methylamino)propan-2-ol;1-[3-ethyl-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]-3-(methylamino)propan-2-ol;3-[2-hydroxy-3-(methylamino)propoxy]-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzonitrile?
The InChIKey is BUPHQRSOINJSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O3.2C25H35N5O3.C24H30N6O3.C24H31N5O4/c1-6-18-11-19(13-21(12-18)34-17-20(32)15-27-5)23-14-24(30-7-9-33-10-8-30)31-25(29-23)22(16-28-31)26(2,3)4;1-25(2,3)21-15-27-30-23(28-18-8-10-32-11-9-18)13-22(29-24(21)30)17-6-5-7-20(12-17)33-16-19(31)14-26-4;1-5-18-10-19(12-21(11-18)33-16-20(31)14-26-4)23-13-24(29-6-8-32-9-7-29)30-25(28-23)22(15-27-30)17(2)3;1-16(2)21-14-27-30-23(29-4-6-32-7-5-29)11-22(28-24(21)30)18-8-17(12-25)9-20(10-18)33-15-19(31)13-26-3;1-25-13-18(30)15-33-20-10-17(9-19(11-20)31-2)22-12-23(28-5-7-32-8-6-28)29-24(27-22)21(14-26-29)16-3-4-16/h6,11-14,16,20,27,32H,1,7-10,15,17H2,2-5H3;5-7,12-13,15,18-19,26,28,31H,8-11,14,16H2,1-4H3;10-13,15,17,20,26,31H,5-9,14,16H2,1-4H3;8-11,14,16,19,26,31H,4-7,13,15H2,1-3H3;9-12,14,16,18,25,30H,3-8,13,15H2,1-2H3.
What are the key properties of 1-[3-(3-tert-butyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-ethenylphenoxy]-3-(methylamino)propan-2-ol;1-[3-[3-tert-butyl-7-(oxan-4-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-(3-cyclopropyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-methoxyphenoxy]-3-(methylamino)propan-2-ol;1-[3-ethyl-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]-3-(methylamino)propan-2-ol;3-[2-hydroxy-3-(methylamino)propoxy]-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzonitrile?
1-[3-(3-tert-butyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-ethenylphenoxy]-3-(methylamino)propan-2-ol;1-[3-[3-tert-butyl-7-(oxan-4-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-(3-cyclopropyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-methoxyphenoxy]-3-(methylamino)propan-2-ol;1-[3-ethyl-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]-3-(methylamino)propan-2-ol;3-[2-hydroxy-3-(methylamino)propoxy]-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzonitrile has a molecular weight of 2276.86 g/mol, XLogP of 13.52, 42 rotatable bonds, 11 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-tert-butyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-ethenylphenoxy]-3-(methylamino)propan-2-ol;1-[3-[3-tert-butyl-7-(oxan-4-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-(3-cyclopropyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-methoxyphenoxy]-3-(methylamino)propan-2-ol;1-[3-ethyl-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]-3-(methylamino)propan-2-ol;3-[2-hydroxy-3-(methylamino)propoxy]-5-(7-morpholin-4-yl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzonitrile is sourced from PubChem (CID 157467047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).