tert-butyl N-[(2S)-1-oxo-3-phenyl-1-[(5-pyridin-4-yl-1H-pyrazol-3-yl)amino]propan-2-yl]carbamate;(2S)-3-phenyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide;5-pyridin-4-yl-1H-pyrazol-3-amine

C51H53N15O4S — CID 159341126

About tert-butyl N-[(2S)-1-oxo-3-phenyl-1-[(5-pyridin-4-yl-1H-pyrazol-3-yl)amino]propan-2-yl]carbamate;(2S)-3-phenyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide;5-pyridin-4-yl-1H-pyrazol-3-amine

tert-butyl N-[(2S)-1-oxo-3-phenyl-1-[(5-pyridin-4-yl-1H-pyrazol-3-yl)amino]propan-2-yl]carbamate;(2S)-3-phenyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide;5-pyridin-4-yl-1H-pyrazol-3-amine (PubChem CID 159341126) has the molecular formula C51H53N15O4S and a molecular weight of 972.15 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-oxo-3-phenyl-1-[(5-pyridin-4-yl-1H-pyrazol-3-yl)amino]propan-2-yl]carbamate;(2S)-3-phenyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide;5-pyridin-4-yl-1H-pyrazol-3-amine.

Molecular Properties

• Compound Name: tert-butyl N-[(2S)-1-oxo-3-phenyl-1-[(5-pyridin-4-yl-1H-pyrazol-3-yl)amino]propan-2-yl]carbamate;(2S)-3-phenyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide;5-pyridin-4-yl-1H-pyrazol-3-amine
• PubChem CID: 159341126
• Molecular Formula: C51H53N15O4S
• Molecular Weight: 972.15 g/mol
• Exact Mass: 971.41
• IUPAC Name: tert-butyl N-[(2S)-1-oxo-3-phenyl-1-[(5-pyridin-4-yl-1H-pyrazol-3-yl)amino]propan-2-yl]carbamate;(2S)-3-phenyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide;5-pyridin-4-yl-1H-pyrazol-3-amine
• SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cc(-c2ccncc2)[nH]n1.Nc1cc(-c2ccncc2)[nH]n1.O=C(Nc1cc(-c2ccncc2)[nH]n1)[C@H](Cc1ccccc1)NCc1cscn1
• InChI: InChI=1S/C22H25N5O3.C21H20N6OS.C8H8N4/c1-22(2,3)30-21(29)24-18(13-15-7-5-4-6-8-15)20(28)25-19-14-17(26-27-19)16-9-11-23-12-10-16;28-21(25-20-11-18(26-27-20)16-6-8-22-9-7-16)19(10-15-4-2-1-3-5-15)23-12-17-13-29-14-24-17;9-8-5-7(11-12-8)6-1-3-10-4-2-6/h4-12,14,18H,13H2,1-3H3,(H,24,29)(H2,25,26,27,28);1-9,11,13-14,19,23H,10,12H2,(H2,25,26,27,28);1-5H,(H3,9,11,12)/t18-;19-;/m00./s1
• InChIKey: LGDOJHLEOZNTLI-MLYKICAWSA-N
• XLogP: 7.87
• TPSA: 272.18 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 14
• Rotatable Bonds: 15
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	972.15
LogP ≤ 5	7.87
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-oxo-3-phenyl-1-[(5-pyridin-4-yl-1H-pyrazol-3-yl)amino]propan-2-yl]carbamate;(2S)-3-phenyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide;5-pyridin-4-yl-1H-pyrazol-3-amine?

The IUPAC name of tert-butyl N-[(2S)-1-oxo-3-phenyl-1-[(5-pyridin-4-yl-1H-pyrazol-3-yl)amino]propan-2-yl]carbamate;(2S)-3-phenyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide;5-pyridin-4-yl-1H-pyrazol-3-amine (CID 159341126) is tert-butyl N-[(2S)-1-oxo-3-phenyl-1-[(5-pyridin-4-yl-1H-pyrazol-3-yl)amino]propan-2-yl]carbamate;(2S)-3-phenyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide;5-pyridin-4-yl-1H-pyrazol-3-amine.

What is the SMILES notation for tert-butyl N-[(2S)-1-oxo-3-phenyl-1-[(5-pyridin-4-yl-1H-pyrazol-3-yl)amino]propan-2-yl]carbamate;(2S)-3-phenyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide;5-pyridin-4-yl-1H-pyrazol-3-amine?

The canonical SMILES for tert-butyl N-[(2S)-1-oxo-3-phenyl-1-[(5-pyridin-4-yl-1H-pyrazol-3-yl)amino]propan-2-yl]carbamate;(2S)-3-phenyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide;5-pyridin-4-yl-1H-pyrazol-3-amine is CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cc(-c2ccncc2)[nH]n1.Nc1cc(-c2ccncc2)[nH]n1.O=C(Nc1cc(-c2ccncc2)[nH]n1)[C@H](Cc1ccccc1)NCc1cscn1.

What is the InChIKey of tert-butyl N-[(2S)-1-oxo-3-phenyl-1-[(5-pyridin-4-yl-1H-pyrazol-3-yl)amino]propan-2-yl]carbamate;(2S)-3-phenyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide;5-pyridin-4-yl-1H-pyrazol-3-amine?

The InChIKey is LGDOJHLEOZNTLI-MLYKICAWSA-N. The full InChI is InChI=1S/C22H25N5O3.C21H20N6OS.C8H8N4/c1-22(2,3)30-21(29)24-18(13-15-7-5-4-6-8-15)20(28)25-19-14-17(26-27-19)16-9-11-23-12-10-16;28-21(25-20-11-18(26-27-20)16-6-8-22-9-7-16)19(10-15-4-2-1-3-5-15)23-12-17-13-29-14-24-17;9-8-5-7(11-12-8)6-1-3-10-4-2-6/h4-12,14,18H,13H2,1-3H3,(H,24,29)(H2,25,26,27,28);1-9,11,13-14,19,23H,10,12H2,(H2,25,26,27,28);1-5H,(H3,9,11,12)/t18-;19-;/m00./s1.

What are the key properties of tert-butyl N-[(2S)-1-oxo-3-phenyl-1-[(5-pyridin-4-yl-1H-pyrazol-3-yl)amino]propan-2-yl]carbamate;(2S)-3-phenyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide;5-pyridin-4-yl-1H-pyrazol-3-amine?

tert-butyl N-[(2S)-1-oxo-3-phenyl-1-[(5-pyridin-4-yl-1H-pyrazol-3-yl)amino]propan-2-yl]carbamate;(2S)-3-phenyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide;5-pyridin-4-yl-1H-pyrazol-3-amine has a molecular weight of 972.15 g/mol, XLogP of 7.87, 15 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(2S)-1-oxo-3-phenyl-1-[(5-pyridin-4-yl-1H-pyrazol-3-yl)amino]propan-2-yl]carbamate;(2S)-3-phenyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide;5-pyridin-4-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 159341126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).