(2R)-1-[4-[6-acetyl-7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(4-ethylphenyl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane

C118H140N24O14 — CID 159800082

About (2R)-1-[4-[6-acetyl-7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(4-ethylphenyl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane

(2R)-1-[4-[6-acetyl-7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(4-ethylphenyl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane (PubChem CID 159800082) has the molecular formula C118H140N24O14 and a molecular weight of 2118.57 g/mol. Its IUPAC name is (2R)-1-[4-[6-acetyl-7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(4-ethylphenyl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane.

Molecular Properties

• Compound Name: (2R)-1-[4-[6-acetyl-7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(4-ethylphenyl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane
• PubChem CID: 159800082
• Molecular Formula: C118H140N24O14
• Molecular Weight: 2118.57 g/mol
• Exact Mass: 2117.10
• IUPAC Name: (2R)-1-[4-[6-acetyl-7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(4-ethylphenyl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane
• SMILES: C.C.C.C.CC(=O)c1c(C2CCN(C(=O)[C@@H](C)O)CC2)nc2c(-c3ccc(-c4ccc(CO)cc4)nc3)cnn2c1N.CCc1cc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)[C@@H](C)O)CC5)nc34)cn2)ccc1OC.CCc1ccc(-c2ccc(-c3cnn4c(N)c(C=O)c(C5CCN(C(=O)[C@@H](C)O)CC5)nc34)cn2)cc1.CCc1cccc(-c2ccc(-c3cnn4c(N)c(C=O)c(C5CCN(C(=O)[C@@H](C)O)CC5)nc34)cn2)c1
• InChI: InChI=1S/C30H34N6O4.C28H30N6O4.2C28H30N6O3.4CH4/c1-5-19-14-21(7-9-25(19)40-4)24-8-6-22(15-32-24)23-16-33-36-28(31)26(17(2)37)27(34-29(23)36)20-10-12-35(13-11-20)30(39)18(3)38;1-16(36)24-25(20-9-11-33(12-10-20)28(38)17(2)37)32-27-22(14-31-34(27)26(24)29)21-7-8-23(30-13-21)19-5-3-18(15-35)4-6-19;1-3-18-4-6-19(7-5-18)24-9-8-21(14-30-24)22-15-31-34-26(29)23(16-35)25(32-27(22)34)20-10-12-33(13-11-20)28(37)17(2)36;1-3-18-5-4-6-20(13-18)24-8-7-21(14-30-24)22-15-31-34-26(29)23(16-35)25(32-27(22)34)19-9-11-33(12-10-19)28(37)17(2)36;;;;/h6-9,14-16,18,20,38H,5,10-13,31H2,1-4H3;3-8,13-14,17,20,35,37H,9-12,15,29H2,1-2H3;4-9,14-17,20,36H,3,10-13,29H2,1-2H3;4-8,13-17,19,36H,3,9-12,29H2,1-2H3;4*1H4/t18-;3*17-;;;;/m1111..../s1
• InChIKey: NJRCQEITZXHAEE-DNSZUFFQSA-N
• XLogP: 16.27
• TPSA: 536.30 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 34
• Rotatable Bonds: 25
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2118.57
LogP ≤ 5	16.27
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[6-acetyl-7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(4-ethylphenyl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane?

The IUPAC name of (2R)-1-[4-[6-acetyl-7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(4-ethylphenyl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane (CID 159800082) is (2R)-1-[4-[6-acetyl-7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(4-ethylphenyl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane.

What is the SMILES notation for (2R)-1-[4-[6-acetyl-7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(4-ethylphenyl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane?

The canonical SMILES for (2R)-1-[4-[6-acetyl-7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(4-ethylphenyl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane is C.C.C.C.CC(=O)c1c(C2CCN(C(=O)[C@@H](C)O)CC2)nc2c(-c3ccc(-c4ccc(CO)cc4)nc3)cnn2c1N.CCc1cc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)[C@@H](C)O)CC5)nc34)cn2)ccc1OC.CCc1ccc(-c2ccc(-c3cnn4c(N)c(C=O)c(C5CCN(C(=O)[C@@H](C)O)CC5)nc34)cn2)cc1.CCc1cccc(-c2ccc(-c3cnn4c(N)c(C=O)c(C5CCN(C(=O)[C@@H](C)O)CC5)nc34)cn2)c1.

What is the InChIKey of (2R)-1-[4-[6-acetyl-7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(4-ethylphenyl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane?

The InChIKey is NJRCQEITZXHAEE-DNSZUFFQSA-N. The full InChI is InChI=1S/C30H34N6O4.C28H30N6O4.2C28H30N6O3.4CH4/c1-5-19-14-21(7-9-25(19)40-4)24-8-6-22(15-32-24)23-16-33-36-28(31)26(17(2)37)27(34-29(23)36)20-10-12-35(13-11-20)30(39)18(3)38;1-16(36)24-25(20-9-11-33(12-10-20)28(38)17(2)37)32-27-22(14-31-34(27)26(24)29)21-7-8-23(30-13-21)19-5-3-18(15-35)4-6-19;1-3-18-4-6-19(7-5-18)24-9-8-21(14-30-24)22-15-31-34-26(29)23(16-35)25(32-27(22)34)20-10-12-33(13-11-20)28(37)17(2)36;1-3-18-5-4-6-20(13-18)24-8-7-21(14-30-24)22-15-31-34-26(29)23(16-35)25(32-27(22)34)19-9-11-33(12-10-19)28(37)17(2)36;;;;/h6-9,14-16,18,20,38H,5,10-13,31H2,1-4H3;3-8,13-14,17,20,35,37H,9-12,15,29H2,1-2H3;4-9,14-17,20,36H,3,10-13,29H2,1-2H3;4-8,13-17,19,36H,3,9-12,29H2,1-2H3;4*1H4/t18-;3*17-;;;;/m1111..../s1.

What are the key properties of (2R)-1-[4-[6-acetyl-7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(4-ethylphenyl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane?

(2R)-1-[4-[6-acetyl-7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(4-ethylphenyl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane has a molecular weight of 2118.57 g/mol, XLogP of 16.27, 25 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[4-[6-acetyl-7-amino-3-[6-(3-ethyl-4-methoxyphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(2R)-1-[4-[6-acetyl-7-amino-3-[6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;7-amino-3-[6-(4-ethylphenyl)-3-pyridinyl]-5-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carbaldehyde;methane is sourced from PubChem (CID 159800082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).