(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;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-quinolin-4-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-2-[(2S)-2-(4-isoquinolin-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide

C106H134N22O10S4 — CID 158788927

About (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;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-quinolin-4-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-2-[(2S)-2-(4-isoquinolin-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide

(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;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-quinolin-4-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-2-[(2S)-2-(4-isoquinolin-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide (PubChem CID 158788927) has the molecular formula C106H134N22O10S4 and a molecular weight of 2004.65 g/mol. Its IUPAC name is (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;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-quinolin-4-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-2-[(2S)-2-(4-isoquinolin-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide.

Molecular Properties

• Compound Name: (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;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-quinolin-4-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-2-[(2S)-2-(4-isoquinolin-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide
• PubChem CID: 158788927
• Molecular Formula: C106H134N22O10S4
• Molecular Weight: 2004.65 g/mol
• Exact Mass: 2002.95
• IUPAC Name: (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;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-quinolin-4-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-2-[(2S)-2-(4-isoquinolin-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide
• SMILES: CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccnc3ccccc23)cs1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cnn3ccccc23)cs1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cnn3ccccc23)cs1)C1CCOCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2nccc3ccccc23)cs1)C1CCOCC1
• InChI: InChI=1S/C28H35N5O2S.C27H33N5O3S.C26H34N6O2S.C25H32N6O3S/c1-18(29-2)26(34)32-25(19-9-4-3-5-10-19)28(35)33-16-8-13-24(33)27-31-23(17-36-27)21-14-15-30-22-12-7-6-11-20(21)22;1-17(28-2)25(33)31-23(19-10-14-35-15-11-19)27(34)32-13-5-8-22(32)26-30-21(16-36-26)24-20-7-4-3-6-18(20)9-12-29-24;1-17(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;1-16(26-2)23(32)29-22(17-8-12-34-13-9-17)25(33)30-10-5-7-21(30)24-28-19(15-35-24)18-14-27-31-11-4-3-6-20(18)31/h6-7,11-12,14-15,17-19,24-25,29H,3-5,8-10,13,16H2,1-2H3,(H,32,34);3-4,6-7,9,12,16-17,19,22-23,28H,5,8,10-11,13-15H2,1-2H3,(H,31,33);6-7,11,14-18,22-23,27H,3-5,8-10,12-13H2,1-2H3,(H,30,33);3-4,6,11,14-17,21-22,26H,5,7-10,12-13H2,1-2H3,(H,29,32)/t18-,24-,25-;2*17-,22-,23-;16-,21-,22-/m0000/s1
• InChIKey: ISAJYEAFJZGFRA-LROCZGNHSA-N
• XLogP: 14.67
• TPSA: 376.16 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 28
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2004.65
LogP ≤ 5	14.67
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of (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;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-quinolin-4-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-2-[(2S)-2-(4-isoquinolin-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide?

The IUPAC name of (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;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-quinolin-4-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-2-[(2S)-2-(4-isoquinolin-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide (CID 158788927) is (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;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-quinolin-4-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-2-[(2S)-2-(4-isoquinolin-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide.

What is the SMILES notation for (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;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-quinolin-4-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-2-[(2S)-2-(4-isoquinolin-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide?

The canonical SMILES for (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;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-quinolin-4-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-2-[(2S)-2-(4-isoquinolin-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide is CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccnc3ccccc23)cs1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cnn3ccccc23)cs1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2cnn3ccccc23)cs1)C1CCOCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2nccc3ccccc23)cs1)C1CCOCC1.

What is the InChIKey of (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;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-quinolin-4-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-2-[(2S)-2-(4-isoquinolin-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide?

The InChIKey is ISAJYEAFJZGFRA-LROCZGNHSA-N. The full InChI is InChI=1S/C28H35N5O2S.C27H33N5O3S.C26H34N6O2S.C25H32N6O3S/c1-18(29-2)26(34)32-25(19-9-4-3-5-10-19)28(35)33-16-8-13-24(33)27-31-23(17-36-27)21-14-15-30-22-12-7-6-11-20(21)22;1-17(28-2)25(33)31-23(19-10-14-35-15-11-19)27(34)32-13-5-8-22(32)26-30-21(16-36-26)24-20-7-4-3-6-18(20)9-12-29-24;1-17(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;1-16(26-2)23(32)29-22(17-8-12-34-13-9-17)25(33)30-10-5-7-21(30)24-28-19(15-35-24)18-14-27-31-11-4-3-6-20(18)31/h6-7,11-12,14-15,17-19,24-25,29H,3-5,8-10,13,16H2,1-2H3,(H,32,34);3-4,6-7,9,12,16-17,19,22-23,28H,5,8,10-11,13-15H2,1-2H3,(H,31,33);6-7,11,14-18,22-23,27H,3-5,8-10,12-13H2,1-2H3,(H,30,33);3-4,6,11,14-17,21-22,26H,5,7-10,12-13H2,1-2H3,(H,29,32)/t18-,24-,25-;2*17-,22-,23-;16-,21-,22-/m0000/s1.

What are the key properties of (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;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-quinolin-4-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-2-[(2S)-2-(4-isoquinolin-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide?

(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;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-quinolin-4-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-2-[(2S)-2-(4-isoquinolin-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide has a molecular weight of 2004.65 g/mol, XLogP of 14.67, 28 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (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;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-quinolin-4-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-2-[(2S)-2-(4-isoquinolin-1-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(4-pyrazolo[1,5-a]pyridin-3-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]propanamide is sourced from PubChem (CID 158788927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).