(2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl]-2-hydroxyethanone;1-[7-[bis(2-trimethylsilylethoxymethyl)amino]-5-cyclohexyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;(2R)-2-hydroxypropanoic acid

C91H111N17O12Si2 — CID 159036750

IUPAC(2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl]-2-hydroxyethanone;1-[7-[bis(2-trimethylsilylethoxymethyl)amino]-5-cyclohexyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;(2R)-2-hydroxypropanoic acid
SMILESCC(=O)c1c(C2CCCCC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N(COCC[Si](C)(C)C)COCC[Si](C)(C)C.C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2C(=O)CO)CC1.C[C@@H](O)C(=O)O.Nc1c(C(=O)CO)c(C2CCNCC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12
InChIInChI=1S/C37H53N5O3Si2.C27H28N6O4.C24H24N6O2.C3H6O3/c1-28(43)34-35(30-16-12-9-13-17-30)40-36-32(31-18-19-33(38-24-31)29-14-10-8-11-15-29)25-39-42(36)37(34)41(26-44-20-22-46(2,3)4)27-45-21-23-47(5,6)7;1-16(35)27(37)32-11-9-18(10-12-32)24-23(22(36)15-34)25(28)33-26(31-24)20(14-30-33)19-7-8-21(29-13-19)17-5-3-2-4-6-17;25-23-21(20(32)14-31)22(16-8-10-26-11-9-16)29-24-18(13-28-30(23)24)17-6-7-19(27-12-17)15-4-2-1-3-5-15;1-2(4)3(5)6/h8,10-11,14-15,18-19,24-25,30H,9,12-13,16-17,20-23,26-27H2,1-7H3;2-8,13-14,16,18,34-35H,9-12,15,28H2,1H3;1-7,12-13,16,26,31H,8-11,14,25H2;2,4H,1H3,(H,5,6)/t;16-;;2-/m.1.1/s1
InChIKeyJVNYYCISTRYEQK-GZABTQPXSA-N
MW1691.17 g/mol
LogP13.58
Rot. Bonds27

About (2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl]-2-hydroxyethanone;1-[7-[bis(2-trimethylsilylethoxymethyl)amino]-5-cyclohexyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;(2R)-2-hydroxypropanoic acid

(2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl]-2-hydroxyethanone;1-[7-[bis(2-trimethylsilylethoxymethyl)amino]-5-cyclohexyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;(2R)-2-hydroxypropanoic acid (PubChem CID 159036750) has the molecular formula C91H111N17O12Si2 and a molecular weight of 1691.17 g/mol. Its IUPAC name is (2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl]-2-hydroxyethanone;1-[7-[bis(2-trimethylsilylethoxymethyl)amino]-5-cyclohexyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;(2R)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl]-2-hydroxyethanone;1-[7-[bis(2-trimethylsilylethoxymethyl)amino]-5-cyclohexyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;(2R)-2-hydroxypropanoic acid
PubChem CID159036750
Molecular FormulaC91H111N17O12Si2
Molecular Weight1691.17 g/mol
Exact Mass1689.81
IUPAC Name(2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl]-2-hydroxyethanone;1-[7-[bis(2-trimethylsilylethoxymethyl)amino]-5-cyclohexyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;(2R)-2-hydroxypropanoic acid
SMILESCC(=O)c1c(C2CCCCC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N(COCC[Si](C)(C)C)COCC[Si](C)(C)C.C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2C(=O)CO)CC1.C[C@@H](O)C(=O)O.Nc1c(C(=O)CO)c(C2CCNCC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12
InChIInChI=1S/C37H53N5O3Si2.C27H28N6O4.C24H24N6O2.C3H6O3/c1-28(43)34-35(30-16-12-9-13-17-30)40-36-32(31-18-19-33(38-24-31)29-14-10-8-11-15-29)25-39-42(36)37(34)41(26-44-20-22-46(2,3)4)27-45-21-23-47(5,6)7;1-16(35)27(37)32-11-9-18(10-12-32)24-23(22(36)15-34)25(28)33-26(31-24)20(14-30-33)19-7-8-21(29-13-19)17-5-3-2-4-6-17;25-23-21(20(32)14-31)22(16-8-10-26-11-9-16)29-24-18(13-28-30(23)24)17-6-7-19(27-12-17)15-4-2-1-3-5-15;1-2(4)3(5)6/h8,10-11,14-15,18-19,24-25,30H,9,12-13,16-17,20-23,26-27H2,1-7H3;2-8,13-14,16,18,34-35H,9-12,15,28H2,1H3;1-7,12-13,16,26,31H,8-11,14,25H2;2,4H,1H3,(H,5,6)/t;16-;;2-/m.1.1/s1
InChIKeyJVNYYCISTRYEQK-GZABTQPXSA-N
XLogP13.58
TPSA404.75 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds27
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001691.17
LogP ≤ 513.58
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl]-2-hydroxyethanone;1-[7-[bis(2-trimethylsilylethoxymethyl)amino]-5-cyclohexyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;(2R)-2-hydroxypropanoic acid with MolForge

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Related Compounds

1-[7-amino-5-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;tert-butyl (1R,5S)-3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-(1-ethoxyethenyl)-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate;2,2,2-trifluoroacetaldehyde
CID 157513359
[4-[7-Amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(4-hydroxypiperidin-4-yl)methanone;[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(oxan-4-yl)methanone;1-[4-[7-amino-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2,2,2-trifluoroethanone;1-[7-amino-5-[1-(4-hydroxypiperidine-4-carbonyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 159501465
(4S)-4-[5-[6-acetyl-7-amino-5-[(1S,5R)-8-(2-hydroxyacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-1,3-oxazolidin-2-one
CID 67295312
(R)-1-(4-(7-amino-6-(2-hydroxyacetyl)-3-(6-phenylpyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl)-2-hydroxypropan-1-one
CID 67494352
1-[4-[7-Amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one
CID 67494355
4-[5-[6-acetyl-7-amino-5-[(1S,5R)-8-(2-hydroxyacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-1,3-oxazolidin-2-one
CID 71115685
4-[5-[6-Acetyl-7-amino-5-[8-(2-hydroxyacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-1,3-oxazolidin-2-one
CID 77261424
(4S)-4-[5-[6-acetyl-7-amino-5-[(1S,5S)-8-(2-hydroxyacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]-1,3-oxazolidin-2-one
CID 140602944
1-[7-Amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]-2-phenylethanone;tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(1-methylpyrazol-4-yl)-6-(2-phenylethynyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
CID 157205330
tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)-6-[(Z)-prop-1-enyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate;methane;4-[10-(6-phenyl-3-pyridinyl)-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]cyclohexane-1-carboxylic acid
CID 157342470
2-[4-[7-[Bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-hydroxyacetic acid;1-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]ethane-1,2-diol
CID 157498255
1-[7-amino-5-(6-hydroxy-8-azabicyclo[3.2.1]octan-3-yl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-(1-ethoxyethenyl)-5-(6-methyl-3-bicyclo[3.2.1]octanyl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 157644866

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl]-2-hydroxyethanone;1-[7-[bis(2-trimethylsilylethoxymethyl)amino]-5-cyclohexyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;(2R)-2-hydroxypropanoic acid?
The IUPAC name of (2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl]-2-hydroxyethanone;1-[7-[bis(2-trimethylsilylethoxymethyl)amino]-5-cyclohexyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;(2R)-2-hydroxypropanoic acid (CID 159036750) is (2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl]-2-hydroxyethanone;1-[7-[bis(2-trimethylsilylethoxymethyl)amino]-5-cyclohexyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;(2R)-2-hydroxypropanoic acid.
What is the SMILES notation for (2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl]-2-hydroxyethanone;1-[7-[bis(2-trimethylsilylethoxymethyl)amino]-5-cyclohexyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;(2R)-2-hydroxypropanoic acid?
The canonical SMILES for (2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl]-2-hydroxyethanone;1-[7-[bis(2-trimethylsilylethoxymethyl)amino]-5-cyclohexyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;(2R)-2-hydroxypropanoic acid is CC(=O)c1c(C2CCCCC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N(COCC[Si](C)(C)C)COCC[Si](C)(C)C.C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c(N)c2C(=O)CO)CC1.C[C@@H](O)C(=O)O.Nc1c(C(=O)CO)c(C2CCNCC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.
What is the InChIKey of (2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl]-2-hydroxyethanone;1-[7-[bis(2-trimethylsilylethoxymethyl)amino]-5-cyclohexyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;(2R)-2-hydroxypropanoic acid?
The InChIKey is JVNYYCISTRYEQK-GZABTQPXSA-N. The full InChI is InChI=1S/C37H53N5O3Si2.C27H28N6O4.C24H24N6O2.C3H6O3/c1-28(43)34-35(30-16-12-9-13-17-30)40-36-32(31-18-19-33(38-24-31)29-14-10-8-11-15-29)25-39-42(36)37(34)41(26-44-20-22-46(2,3)4)27-45-21-23-47(5,6)7;1-16(35)27(37)32-11-9-18(10-12-32)24-23(22(36)15-34)25(28)33-26(31-24)20(14-30-33)19-7-8-21(29-13-19)17-5-3-2-4-6-17;25-23-21(20(32)14-31)22(16-8-10-26-11-9-16)29-24-18(13-28-30(23)24)17-6-7-19(27-12-17)15-4-2-1-3-5-15;1-2(4)3(5)6/h8,10-11,14-15,18-19,24-25,30H,9,12-13,16-17,20-23,26-27H2,1-7H3;2-8,13-14,16,18,34-35H,9-12,15,28H2,1H3;1-7,12-13,16,26,31H,8-11,14,25H2;2,4H,1H3,(H,5,6)/t;16-;;2-/m.1.1/s1.
What are the key properties of (2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl]-2-hydroxyethanone;1-[7-[bis(2-trimethylsilylethoxymethyl)amino]-5-cyclohexyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;(2R)-2-hydroxypropanoic acid?
(2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl]-2-hydroxyethanone;1-[7-[bis(2-trimethylsilylethoxymethyl)amino]-5-cyclohexyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;(2R)-2-hydroxypropanoic acid has a molecular weight of 1691.17 g/mol, XLogP of 13.58, 27 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[7-amino-6-(2-hydroxyacetyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;1-[7-amino-3-(6-phenyl-3-pyridinyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl]-2-hydroxyethanone;1-[7-[bis(2-trimethylsilylethoxymethyl)amino]-5-cyclohexyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]ethanone;(2R)-2-hydroxypropanoic acid is sourced from PubChem (CID 159036750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).