1-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane

C120H138N24O20 — CID 158725470

IUPAC1-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane
SMILESC.C.C.CC(CO)(CO)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccc6c(c5)CCO6)nc4)cnn3c(N)c2C=O)CC1.COc1ccc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)C(C)(CO)CO)CC5)nc34)cn2)cc1OC.COc1ccc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)[C@@H](C)O)CC5)nc34)cn2)cc1OC.Nc1c(C=O)c(C2CCN(C(=O)CO)CC2)nc2c(-c3ccc(-c4ccc5c(c4)CCO5)nc3)cnn12
InChIInChI=1S/C31H36N6O6.C30H32N6O5.C29H32N6O5.C27H26N6O4.3CH4/c1-18(40)26-27(19-9-11-36(12-10-19)30(41)31(2,16-38)17-39)35-29-22(15-34-37(29)28(26)32)21-5-7-23(33-14-21)20-6-8-24(42-3)25(13-20)43-4;1-30(16-38,17-39)29(40)35-9-6-18(7-10-35)26-23(15-37)27(31)36-28(34-26)22(14-33-36)21-2-4-24(32-13-21)19-3-5-25-20(12-19)8-11-41-25;1-16(36)25-26(18-9-11-34(12-10-18)29(38)17(2)37)33-28-21(15-32-35(28)27(25)30)20-5-7-22(31-14-20)19-6-8-23(39-3)24(13-19)40-4;28-26-21(14-34)25(16-5-8-32(9-6-16)24(36)15-35)31-27-20(13-30-33(26)27)19-1-3-22(29-12-19)17-2-4-23-18(11-17)7-10-37-23;;;/h5-8,13-15,19,38-39H,9-12,16-17,32H2,1-4H3;2-5,12-15,18,38-39H,6-11,16-17,31H2,1H3;5-8,13-15,17-18,37H,9-12,30H2,1-4H3;1-4,11-14,16,35H,5-10,15,28H2;3*1H4/t;;17-;;;;/m..1..../s1
InChIKeyIKLFXYFYIZRPAP-IPRWDPEXSA-N
MW2236.57 g/mol
LogP13.18
Rot. Bonds28

About 1-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane

1-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane (PubChem CID 158725470) has the molecular formula C120H138N24O20 and a molecular weight of 2236.57 g/mol. Its IUPAC name is 1-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane.

Molecular Properties

Compound Name1-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane
PubChem CID158725470
Molecular FormulaC120H138N24O20
Molecular Weight2236.57 g/mol
Exact Mass2235.05
IUPAC Name1-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane
SMILESC.C.C.CC(CO)(CO)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccc6c(c5)CCO6)nc4)cnn3c(N)c2C=O)CC1.COc1ccc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)C(C)(CO)CO)CC5)nc34)cn2)cc1OC.COc1ccc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)[C@@H](C)O)CC5)nc34)cn2)cc1OC.Nc1c(C=O)c(C2CCN(C(=O)CO)CC2)nc2c(-c3ccc(-c4ccc5c(c4)CCO5)nc3)cnn12
InChIInChI=1S/C31H36N6O6.C30H32N6O5.C29H32N6O5.C27H26N6O4.3CH4/c1-18(40)26-27(19-9-11-36(12-10-19)30(41)31(2,16-38)17-39)35-29-22(15-34-37(29)28(26)32)21-5-7-23(33-14-21)20-6-8-24(42-3)25(13-20)43-4;1-30(16-38,17-39)29(40)35-9-6-18(7-10-35)26-23(15-37)27(31)36-28(34-26)22(14-33-36)21-2-4-24(32-13-21)19-3-5-25-20(12-19)8-11-41-25;1-16(36)25-26(18-9-11-34(12-10-18)29(38)17(2)37)33-28-21(15-32-35(28)27(25)30)20-5-7-22(31-14-20)19-6-8-23(39-3)24(13-19)40-4;28-26-21(14-34)25(16-5-8-32(9-6-16)24(36)15-35)31-27-20(13-30-33(26)27)19-1-3-22(29-12-19)17-2-4-23-18(11-17)7-10-37-23;;;/h5-8,13-15,19,38-39H,9-12,16-17,32H2,1-4H3;2-5,12-15,18,38-39H,6-11,16-17,31H2,1H3;5-8,13-15,17-18,37H,9-12,30H2,1-4H3;1-4,11-14,16,35H,5-10,15,28H2;3*1H4/t;;17-;;;;/m..1..../s1
InChIKeyIKLFXYFYIZRPAP-IPRWDPEXSA-N
XLogP13.18
TPSA602.68 Ų
H-Bond Donors10
H-Bond Acceptors40
Rotatable Bonds28
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002236.57
LogP ≤ 513.18
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane?
The IUPAC name of 1-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane (CID 158725470) is 1-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane.
What is the SMILES notation for 1-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane?
The canonical SMILES for 1-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane is C.C.C.CC(CO)(CO)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccc6c(c5)CCO6)nc4)cnn3c(N)c2C=O)CC1.COc1ccc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)C(C)(CO)CO)CC5)nc34)cn2)cc1OC.COc1ccc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)[C@@H](C)O)CC5)nc34)cn2)cc1OC.Nc1c(C=O)c(C2CCN(C(=O)CO)CC2)nc2c(-c3ccc(-c4ccc5c(c4)CCO5)nc3)cnn12.
What is the InChIKey of 1-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane?
The InChIKey is IKLFXYFYIZRPAP-IPRWDPEXSA-N. The full InChI is InChI=1S/C31H36N6O6.C30H32N6O5.C29H32N6O5.C27H26N6O4.3CH4/c1-18(40)26-27(19-9-11-36(12-10-19)30(41)31(2,16-38)17-39)35-29-22(15-34-37(29)28(26)32)21-5-7-23(33-14-21)20-6-8-24(42-3)25(13-20)43-4;1-30(16-38,17-39)29(40)35-9-6-18(7-10-35)26-23(15-37)27(31)36-28(34-26)22(14-33-36)21-2-4-24(32-13-21)19-3-5-25-20(12-19)8-11-41-25;1-16(36)25-26(18-9-11-34(12-10-18)29(38)17(2)37)33-28-21(15-32-35(28)27(25)30)20-5-7-22(31-14-20)19-6-8-23(39-3)24(13-19)40-4;28-26-21(14-34)25(16-5-8-32(9-6-16)24(36)15-35)31-27-20(13-30-33(26)27)19-1-3-22(29-12-19)17-2-4-23-18(11-17)7-10-37-23;;;/h5-8,13-15,19,38-39H,9-12,16-17,32H2,1-4H3;2-5,12-15,18,38-39H,6-11,16-17,31H2,1H3;5-8,13-15,17-18,37H,9-12,30H2,1-4H3;1-4,11-14,16,35H,5-10,15,28H2;3*1H4/t;;17-;;;;/m..1..../s1.
What are the key properties of 1-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane?
1-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane has a molecular weight of 2236.57 g/mol, XLogP of 13.18, 28 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-3-hydroxy-2-(hydroxymethyl)-2-methylpropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-(3,4-dimethoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-5-[1-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane is sourced from PubChem (CID 158725470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).