(2R)-1-[4-[6-acetyl-7-amino-3-[6-(3-ethylphenyl)-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-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(4R)-4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]imidazolidin-2-one;1-[7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone

C115H121N29O11 — CID 162104116

IUPAC(2R)-1-[4-[6-acetyl-7-amino-3-[6-(3-ethylphenyl)-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-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(4R)-4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]imidazolidin-2-one;1-[7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
SMILESCC(=O)c1c(C2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CCc1ccc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)[C@@H](C)O)CC5)nc34)cn2)cc1.CCc1cccc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)[C@@H](C)O)CC5)nc34)cn2)c1.CCc1cccc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)c6ncn[nH]6)CC5)nc34)cn2)c1
InChIInChI=1S/C29H29N9O2.2C29H32N6O3.C28H28N8O3/c1-3-18-5-4-6-20(13-18)23-8-7-21(14-31-23)22-15-34-38-26(30)24(17(2)39)25(35-28(22)38)19-9-11-37(12-10-19)29(40)27-32-16-33-36-27;1-4-19-5-7-20(8-6-19)24-10-9-22(15-31-24)23-16-32-35-27(30)25(17(2)36)26(33-28(23)35)21-11-13-34(14-12-21)29(38)18(3)37;1-4-19-6-5-7-21(14-19)24-9-8-22(15-31-24)23-16-32-35-27(30)25(17(2)36)26(33-28(23)35)20-10-12-34(13-11-20)29(38)18(3)37;1-16(37)23-24(18-9-11-35(12-10-18)27(38)22-15-31-28(39)33-22)34-26-20(14-32-36(26)25(23)29)19-7-8-21(30-13-19)17-5-3-2-4-6-17/h4-8,13-16,19H,3,9-12,30H2,1-2H3,(H,32,33,36);5-10,15-16,18,21,37H,4,11-14,30H2,1-3H3;5-9,14-16,18,20,37H,4,10-13,30H2,1-3H3;2-8,13-14,18,22H,9-12,15,29H2,1H3,(H2,31,33,39)/t;2*18-;22-/m.111/s1
InChIKeyZFGWHFOYABGIRF-RVVISZDRSA-N
MW2085.42 g/mol
LogP14.36
Rot. Bonds23

About (2R)-1-[4-[6-acetyl-7-amino-3-[6-(3-ethylphenyl)-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-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(4R)-4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]imidazolidin-2-one;1-[7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone

(2R)-1-[4-[6-acetyl-7-amino-3-[6-(3-ethylphenyl)-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-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(4R)-4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]imidazolidin-2-one;1-[7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone (PubChem CID 162104116) has the molecular formula C115H121N29O11 and a molecular weight of 2085.42 g/mol. Its IUPAC name is (2R)-1-[4-[6-acetyl-7-amino-3-[6-(3-ethylphenyl)-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-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(4R)-4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]imidazolidin-2-one;1-[7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name(2R)-1-[4-[6-acetyl-7-amino-3-[6-(3-ethylphenyl)-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-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(4R)-4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]imidazolidin-2-one;1-[7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
PubChem CID162104116
Molecular FormulaC115H121N29O11
Molecular Weight2085.42 g/mol
Exact Mass2083.98
IUPAC Name(2R)-1-[4-[6-acetyl-7-amino-3-[6-(3-ethylphenyl)-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-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(4R)-4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]imidazolidin-2-one;1-[7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone
SMILESCC(=O)c1c(C2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CCc1ccc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)[C@@H](C)O)CC5)nc34)cn2)cc1.CCc1cccc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)[C@@H](C)O)CC5)nc34)cn2)c1.CCc1cccc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)c6ncn[nH]6)CC5)nc34)cn2)c1
InChIInChI=1S/C29H29N9O2.2C29H32N6O3.C28H28N8O3/c1-3-18-5-4-6-20(13-18)23-8-7-21(14-31-23)22-15-34-38-26(30)24(17(2)39)25(35-28(22)38)19-9-11-37(12-10-19)29(40)27-32-16-33-36-27;1-4-19-5-7-20(8-6-19)24-10-9-22(15-31-24)23-16-32-35-27(30)25(17(2)36)26(33-28(23)35)21-11-13-34(14-12-21)29(38)18(3)37;1-4-19-6-5-7-21(14-19)24-9-8-22(15-31-24)23-16-32-35-27(30)25(17(2)36)26(33-28(23)35)20-10-12-34(13-11-20)29(38)18(3)37;1-16(37)23-24(18-9-11-35(12-10-18)27(38)22-15-31-28(39)33-22)34-26-20(14-32-36(26)25(23)29)19-7-8-21(30-13-19)17-5-3-2-4-6-17/h4-8,13-16,19H,3,9-12,30H2,1-2H3,(H,32,33,36);5-10,15-16,18,21,37H,4,11-14,30H2,1-3H3;5-9,14-16,18,20,37H,4,10-13,30H2,1-3H3;2-8,13-14,18,22H,9-12,15,29H2,1H3,(H2,31,33,39)/t;2*18-;22-/m.111/s1
InChIKeyZFGWHFOYABGIRF-RVVISZDRSA-N
XLogP14.36
TPSA549.08 Ų
H-Bond Donors9
H-Bond Acceptors33
Rotatable Bonds23
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002085.42
LogP ≤ 514.36
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1033

Analyze (2R)-1-[4-[6-acetyl-7-amino-3-[6-(3-ethylphenyl)-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-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(4R)-4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]imidazolidin-2-one;1-[7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[6-acetyl-7-amino-3-[6-(3-ethylphenyl)-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-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(4R)-4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]imidazolidin-2-one;1-[7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The IUPAC name of (2R)-1-[4-[6-acetyl-7-amino-3-[6-(3-ethylphenyl)-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-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(4R)-4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]imidazolidin-2-one;1-[7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone (CID 162104116) is (2R)-1-[4-[6-acetyl-7-amino-3-[6-(3-ethylphenyl)-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-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(4R)-4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]imidazolidin-2-one;1-[7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone.
What is the SMILES notation for (2R)-1-[4-[6-acetyl-7-amino-3-[6-(3-ethylphenyl)-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-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(4R)-4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]imidazolidin-2-one;1-[7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The canonical SMILES for (2R)-1-[4-[6-acetyl-7-amino-3-[6-(3-ethylphenyl)-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-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(4R)-4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]imidazolidin-2-one;1-[7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone is CC(=O)c1c(C2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N.CCc1ccc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)[C@@H](C)O)CC5)nc34)cn2)cc1.CCc1cccc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)[C@@H](C)O)CC5)nc34)cn2)c1.CCc1cccc(-c2ccc(-c3cnn4c(N)c(C(C)=O)c(C5CCN(C(=O)c6ncn[nH]6)CC5)nc34)cn2)c1.
What is the InChIKey of (2R)-1-[4-[6-acetyl-7-amino-3-[6-(3-ethylphenyl)-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-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(4R)-4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]imidazolidin-2-one;1-[7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
The InChIKey is ZFGWHFOYABGIRF-RVVISZDRSA-N. The full InChI is InChI=1S/C29H29N9O2.2C29H32N6O3.C28H28N8O3/c1-3-18-5-4-6-20(13-18)23-8-7-21(14-31-23)22-15-34-38-26(30)24(17(2)39)25(35-28(22)38)19-9-11-37(12-10-19)29(40)27-32-16-33-36-27;1-4-19-5-7-20(8-6-19)24-10-9-22(15-31-24)23-16-32-35-27(30)25(17(2)36)26(33-28(23)35)21-11-13-34(14-12-21)29(38)18(3)37;1-4-19-6-5-7-21(14-19)24-9-8-22(15-31-24)23-16-32-35-27(30)25(17(2)36)26(33-28(23)35)20-10-12-34(13-11-20)29(38)18(3)37;1-16(37)23-24(18-9-11-35(12-10-18)27(38)22-15-31-28(39)33-22)34-26-20(14-32-36(26)25(23)29)19-7-8-21(30-13-19)17-5-3-2-4-6-17/h4-8,13-16,19H,3,9-12,30H2,1-2H3,(H,32,33,36);5-10,15-16,18,21,37H,4,11-14,30H2,1-3H3;5-9,14-16,18,20,37H,4,10-13,30H2,1-3H3;2-8,13-14,18,22H,9-12,15,29H2,1H3,(H2,31,33,39)/t;2*18-;22-/m.111/s1.
What are the key properties of (2R)-1-[4-[6-acetyl-7-amino-3-[6-(3-ethylphenyl)-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-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(4R)-4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]imidazolidin-2-one;1-[7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone?
(2R)-1-[4-[6-acetyl-7-amino-3-[6-(3-ethylphenyl)-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-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(4R)-4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]imidazolidin-2-one;1-[7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone has a molecular weight of 2085.42 g/mol, XLogP of 14.36, 23 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[6-acetyl-7-amino-3-[6-(3-ethylphenyl)-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-ethylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-2-hydroxypropan-1-one;(4R)-4-[4-[6-acetyl-7-amino-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carbonyl]imidazolidin-2-one;1-[7-amino-3-[6-(3-ethylphenyl)-3-pyridinyl]-5-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 162104116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).