(2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C119H123Br3N30O14 — CID 160613270

IUPAC(2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(=O)c1c(OC2CCN(C(=O)[C@@H](C)O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CC(=O)c1c(OCCN2CCOCC2)nc2c(-c3cnc4ccc(C)cc4c3)cnn2c1N.C[C@@H](O)C(=O)N1CCC(Oc2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2Br)CC1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(OCCN5CCOCC5)nc34)cc2c1.Nc1c(Br)c(OCCN2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C27H28N6O4.C25H25BrN6O3.C24H26N6O3.C22H23BrN6O2.C21H21BrN6O2/c1-16(34)23-24(28)33-25(31-26(23)37-20-10-12-32(13-11-20)27(36)17(2)35)21(15-30-33)19-8-9-22(29-14-19)18-6-4-3-5-7-18;1-15(33)25(34)31-11-9-18(10-12-31)35-24-21(26)22(27)32-23(30-24)19(14-29-32)17-7-8-20(28-13-17)16-5-3-2-4-6-16;1-15-3-4-20-17(11-15)12-18(13-26-20)19-14-27-30-22(25)21(16(2)31)24(28-23(19)30)33-10-7-29-5-8-32-9-6-29;1-14-2-3-18-15(10-14)11-16(12-25-18)17-13-26-29-20(24)19(23)22(27-21(17)29)31-9-6-28-4-7-30-8-5-28;22-18-19(23)28-20(26-21(18)30-10-7-27-5-8-29-9-6-27)16(13-25-28)15-11-14-3-1-2-4-17(14)24-12-15/h3-9,14-15,17,20,35H,10-13,28H2,1-2H3;2-8,13-15,18,33H,9-12,27H2,1H3;3-4,11-14H,5-10,25H2,1-2H3;2-3,10-13H,4-9,24H2,1H3;1-4,11-13H,5-10,23H2/t17-;15-;;;/m11.../s1
InChIKeyRFTHJILYCBQQRQ-UNROSGLWSA-N
MW2437.20 g/mol
LogP15.60
Rot. Bonds27

About (2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

(2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 160613270) has the molecular formula C119H123Br3N30O14 and a molecular weight of 2437.20 g/mol. Its IUPAC name is (2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name(2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID160613270
Molecular FormulaC119H123Br3N30O14
Molecular Weight2437.20 g/mol
Exact Mass2432.74
IUPAC Name(2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(=O)c1c(OC2CCN(C(=O)[C@@H](C)O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CC(=O)c1c(OCCN2CCOCC2)nc2c(-c3cnc4ccc(C)cc4c3)cnn2c1N.C[C@@H](O)C(=O)N1CCC(Oc2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2Br)CC1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(OCCN5CCOCC5)nc34)cc2c1.Nc1c(Br)c(OCCN2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C27H28N6O4.C25H25BrN6O3.C24H26N6O3.C22H23BrN6O2.C21H21BrN6O2/c1-16(34)23-24(28)33-25(31-26(23)37-20-10-12-32(13-11-20)27(36)17(2)35)21(15-30-33)19-8-9-22(29-14-19)18-6-4-3-5-7-18;1-15(33)25(34)31-11-9-18(10-12-31)35-24-21(26)22(27)32-23(30-24)19(14-29-32)17-7-8-20(28-13-17)16-5-3-2-4-6-16;1-15-3-4-20-17(11-15)12-18(13-26-20)19-14-27-30-22(25)21(16(2)31)24(28-23(19)30)33-10-7-29-5-8-32-9-6-29;1-14-2-3-18-15(10-14)11-16(12-25-18)17-13-26-29-20(24)19(23)22(27-21(17)29)31-9-6-28-4-7-30-8-5-28;22-18-19(23)28-20(26-21(18)30-10-7-27-5-8-29-9-6-27)16(13-25-28)15-11-14-3-1-2-4-17(14)24-12-15/h3-9,14-15,17,20,35H,10-13,28H2,1-2H3;2-8,13-15,18,33H,9-12,27H2,1H3;3-4,11-14H,5-10,25H2,1-2H3;2-3,10-13H,4-9,24H2,1H3;1-4,11-13H,5-10,23H2/t17-;15-;;;/m11.../s1
InChIKeyRFTHJILYCBQQRQ-UNROSGLWSA-N
XLogP15.60
TPSA544.28 Ų
H-Bond Donors7
H-Bond Acceptors42
Rotatable Bonds27
Heavy Atoms166
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002437.20
LogP ≤ 515.60
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1042

Analyze (2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of (2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 160613270) is (2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for (2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for (2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is CC(=O)c1c(OC2CCN(C(=O)[C@@H](C)O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CC(=O)c1c(OCCN2CCOCC2)nc2c(-c3cnc4ccc(C)cc4c3)cnn2c1N.C[C@@H](O)C(=O)N1CCC(Oc2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2Br)CC1.Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(OCCN5CCOCC5)nc34)cc2c1.Nc1c(Br)c(OCCN2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn12.
What is the InChIKey of (2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is RFTHJILYCBQQRQ-UNROSGLWSA-N. The full InChI is InChI=1S/C27H28N6O4.C25H25BrN6O3.C24H26N6O3.C22H23BrN6O2.C21H21BrN6O2/c1-16(34)23-24(28)33-25(31-26(23)37-20-10-12-32(13-11-20)27(36)17(2)35)21(15-30-33)19-8-9-22(29-14-19)18-6-4-3-5-7-18;1-15(33)25(34)31-11-9-18(10-12-31)35-24-21(26)22(27)32-23(30-24)19(14-29-32)17-7-8-20(28-13-17)16-5-3-2-4-6-16;1-15-3-4-20-17(11-15)12-18(13-26-20)19-14-27-30-22(25)21(16(2)31)24(28-23(19)30)33-10-7-29-5-8-32-9-6-29;1-14-2-3-18-15(10-14)11-16(12-25-18)17-13-26-29-20(24)19(23)22(27-21(17)29)31-9-6-28-4-7-30-8-5-28;22-18-19(23)28-20(26-21(18)30-10-7-27-5-8-29-9-6-27)16(13-25-28)15-11-14-3-1-2-4-17(14)24-12-15/h3-9,14-15,17,20,35H,10-13,28H2,1-2H3;2-8,13-15,18,33H,9-12,27H2,1H3;3-4,11-14H,5-10,25H2,1-2H3;2-3,10-13H,4-9,24H2,1H3;1-4,11-13H,5-10,23H2/t17-;15-;;;/m11.../s1.
What are the key properties of (2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
(2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2437.20 g/mol, XLogP of 15.60, 27 rotatable bonds, 7 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-bromo-3-(6-methylquinolin-3-yl)-5-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(2-morpholin-4-ylethoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 160613270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).