(2S)-2-cyclohexyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]acetic acid;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;4-pyrazolo[1,5-a]pyridin-3-yl-2-[(2S)-pyrrolidin-2-yl]-1,3-thiazole

C57H78N12O7S2 — CID 161440865

IUPAC(2S)-2-cyclohexyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]acetic acid;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;4-pyrazolo[1,5-a]pyridin-3-yl-2-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
SMILESCN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cnn3ccccc23)cs1)C1CCCCC1.C[C@@H](C(=O)N[C@H](C(=O)O)C1CCCCC1)N(C)C(=O)OC(C)(C)C.c1ccn2ncc(-c3csc([C@@H]4CCCN4)n3)c2c1
InChIInChI=1S/C26H34N6O2S.C17H30N2O5.C14H14N4S/c1-17(27-2)24(33)30-23(18-9-4-3-5-10-18)26(34)31-13-8-12-22(31)25-29-20(16-35-25)19-15-28-32-14-7-6-11-21(19)32;1-11(19(5)16(23)24-17(2,3)4)14(20)18-13(15(21)22)12-9-7-6-8-10-12;1-2-7-18-13(5-1)10(8-16-18)12-9-19-14(17-12)11-4-3-6-15-11/h6-7,11,14-18,22-23,27H,3-5,8-10,12-13H2,1-2H3,(H,30,33);11-13H,6-10H2,1-5H3,(H,18,20)(H,21,22);1-2,5,7-9,11,15H,3-4,6H2/t17-,22-,23-;11-,13-;11-/m000/s1
InChIKeyVZGFVRZFIPHGJO-YXKWCNNJSA-N
MW1107.46 g/mol
LogP9.07
Rot. Bonds14

About (2S)-2-cyclohexyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]acetic acid;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;4-pyrazolo[1,5-a]pyridin-3-yl-2-[(2S)-pyrrolidin-2-yl]-1,3-thiazole

(2S)-2-cyclohexyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]acetic acid;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;4-pyrazolo[1,5-a]pyridin-3-yl-2-[(2S)-pyrrolidin-2-yl]-1,3-thiazole (PubChem CID 161440865) has the molecular formula C57H78N12O7S2 and a molecular weight of 1107.46 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]acetic acid;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;4-pyrazolo[1,5-a]pyridin-3-yl-2-[(2S)-pyrrolidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]acetic acid;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;4-pyrazolo[1,5-a]pyridin-3-yl-2-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
PubChem CID161440865
Molecular FormulaC57H78N12O7S2
Molecular Weight1107.46 g/mol
Exact Mass1106.56
IUPAC Name(2S)-2-cyclohexyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]acetic acid;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;4-pyrazolo[1,5-a]pyridin-3-yl-2-[(2S)-pyrrolidin-2-yl]-1,3-thiazole
SMILESCN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cnn3ccccc23)cs1)C1CCCCC1.C[C@@H](C(=O)N[C@H](C(=O)O)C1CCCCC1)N(C)C(=O)OC(C)(C)C.c1ccn2ncc(-c3csc([C@@H]4CCCN4)n3)c2c1
InChIInChI=1S/C26H34N6O2S.C17H30N2O5.C14H14N4S/c1-17(27-2)24(33)30-23(18-9-4-3-5-10-18)26(34)31-13-8-12-22(31)25-29-20(16-35-25)19-15-28-32-14-7-6-11-21(19)32;1-11(19(5)16(23)24-17(2,3)4)14(20)18-13(15(21)22)12-9-7-6-8-10-12;1-2-7-18-13(5-1)10(8-16-18)12-9-19-14(17-12)11-4-3-6-15-11/h6-7,11,14-18,22-23,27H,3-5,8-10,12-13H2,1-2H3,(H,30,33);11-13H,6-10H2,1-5H3,(H,18,20)(H,21,22);1-2,5,7-9,11,15H,3-4,6H2/t17-,22-,23-;11-,13-;11-/m000/s1
InChIKeyVZGFVRZFIPHGJO-YXKWCNNJSA-N
XLogP9.07
TPSA229.79 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001107.46
LogP ≤ 59.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Analyze (2S)-2-cyclohexyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]acetic acid;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;4-pyrazolo[1,5-a]pyridin-3-yl-2-[(2S)-pyrrolidin-2-yl]-1,3-thiazole with MolForge

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

Launch Full Analysis

Related Compounds

US12528814, Example 163
CID 168727048
US12528814, Example 118
CID 175814861
CID 158520962
CID 158520962
(2S,4R)-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-3-[[4-[5-[6-(3-isocyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(methylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]cyclohexyl]amino]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxopropyl]pyrrolidine-2-carboxamide
CID 168726977
US12528814, Example 62
CID 156836650
US12528814, Example 131
CID 156836731
US12528814, Example 121
CID 156836742
US12528814, Example 154
CID 156836744
US12528814, Example 59
CID 156836904
US12528814, Example 151
CID 168726949
US12528814, Example 61
CID 168727104
US12528814, Example 57
CID 175815086

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]acetic acid;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;4-pyrazolo[1,5-a]pyridin-3-yl-2-[(2S)-pyrrolidin-2-yl]-1,3-thiazole?
The IUPAC name of (2S)-2-cyclohexyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]acetic acid;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;4-pyrazolo[1,5-a]pyridin-3-yl-2-[(2S)-pyrrolidin-2-yl]-1,3-thiazole (CID 161440865) is (2S)-2-cyclohexyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]acetic acid;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;4-pyrazolo[1,5-a]pyridin-3-yl-2-[(2S)-pyrrolidin-2-yl]-1,3-thiazole.
What is the SMILES notation for (2S)-2-cyclohexyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]acetic acid;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;4-pyrazolo[1,5-a]pyridin-3-yl-2-[(2S)-pyrrolidin-2-yl]-1,3-thiazole?
The canonical SMILES for (2S)-2-cyclohexyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]acetic acid;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;4-pyrazolo[1,5-a]pyridin-3-yl-2-[(2S)-pyrrolidin-2-yl]-1,3-thiazole is CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cnn3ccccc23)cs1)C1CCCCC1.C[C@@H](C(=O)N[C@H](C(=O)O)C1CCCCC1)N(C)C(=O)OC(C)(C)C.c1ccn2ncc(-c3csc([C@@H]4CCCN4)n3)c2c1.
What is the InChIKey of (2S)-2-cyclohexyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]acetic acid;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;4-pyrazolo[1,5-a]pyridin-3-yl-2-[(2S)-pyrrolidin-2-yl]-1,3-thiazole?
The InChIKey is VZGFVRZFIPHGJO-YXKWCNNJSA-N. The full InChI is InChI=1S/C26H34N6O2S.C17H30N2O5.C14H14N4S/c1-17(27-2)24(33)30-23(18-9-4-3-5-10-18)26(34)31-13-8-12-22(31)25-29-20(16-35-25)19-15-28-32-14-7-6-11-21(19)32;1-11(19(5)16(23)24-17(2,3)4)14(20)18-13(15(21)22)12-9-7-6-8-10-12;1-2-7-18-13(5-1)10(8-16-18)12-9-19-14(17-12)11-4-3-6-15-11/h6-7,11,14-18,22-23,27H,3-5,8-10,12-13H2,1-2H3,(H,30,33);11-13H,6-10H2,1-5H3,(H,18,20)(H,21,22);1-2,5,7-9,11,15H,3-4,6H2/t17-,22-,23-;11-,13-;11-/m000/s1.
What are the key properties of (2S)-2-cyclohexyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]acetic acid;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;4-pyrazolo[1,5-a]pyridin-3-yl-2-[(2S)-pyrrolidin-2-yl]-1,3-thiazole?
(2S)-2-cyclohexyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]acetic acid;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;4-pyrazolo[1,5-a]pyridin-3-yl-2-[(2S)-pyrrolidin-2-yl]-1,3-thiazole has a molecular weight of 1107.46 g/mol, XLogP of 9.07, 14 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexyl-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]acetic acid;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;4-pyrazolo[1,5-a]pyridin-3-yl-2-[(2S)-pyrrolidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 161440865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).