(4S)-4-amino-1-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;bis((4S)-4-(2-hydroxyethylamino)-1-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one);(4S)-4-(propylamino)-1-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one

C95H108N20O8S4Si — CID 161101002

About (4S)-4-amino-1-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;bis((4S)-4-(2-hydroxyethylamino)-1-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one);(4S)-4-(propylamino)-1-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one

(4S)-4-amino-1-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;bis((4S)-4-(2-hydroxyethylamino)-1-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one);(4S)-4-(propylamino)-1-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one (PubChem CID 161101002) has the molecular formula C95H108N20O8S4Si and a molecular weight of 1814.39 g/mol. Its IUPAC name is (4S)-4-amino-1-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;bis((4S)-4-(2-hydroxyethylamino)-1-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one);(4S)-4-(propylamino)-1-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one.

Molecular Properties

• Compound Name: (4S)-4-amino-1-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;bis((4S)-4-(2-hydroxyethylamino)-1-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one);(4S)-4-(propylamino)-1-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one
• PubChem CID: 161101002
• Molecular Formula: C95H108N20O8S4Si
• Molecular Weight: 1814.39 g/mol
• Exact Mass: 1812.73
• IUPAC Name: (4S)-4-amino-1-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;bis((4S)-4-(2-hydroxyethylamino)-1-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one);(4S)-4-(propylamino)-1-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one
• SMILES: CC(C)(C)[Si](C)(C)OCC=O.CCCN[C@@H](C)CCC(=O)c1ccnc(-c2cnn3ccc(-c4cccs4)nc23)c1.C[C@@H](CCC(=O)c1ccnc(-c2cnn3ccc(-c4cccs4)nc23)c1)NCCO.C[C@@H](CCC(=O)c1ccnc(-c2cnn3ccc(-c4cccs4)nc23)c1)NCCO.C[C@H](N)CCC(=O)c1ccnc(-c2cnn3ccc(-c4cccs4)nc23)c1
• InChI: InChI=1S/C23H25N5OS.2C22H23N5O2S.C20H19N5OS.C8H18O2Si/c1-3-10-24-16(2)6-7-21(29)17-8-11-25-20(14-17)18-15-26-28-12-9-19(27-23(18)28)22-5-4-13-30-22;2*1-15(23-9-11-28)4-5-20(29)16-6-8-24-19(13-16)17-14-25-27-10-7-18(26-22(17)27)21-3-2-12-30-21;1-13(21)4-5-18(26)14-6-8-22-17(11-14)15-12-23-25-9-7-16(24-20(15)25)19-3-2-10-27-19;1-8(2,3)11(4,5)10-7-6-9/h4-5,8-9,11-16,24H,3,6-7,10H2,1-2H3;2*2-3,6-8,10,12-15,23,28H,4-5,9,11H2,1H3;2-3,6-13H,4-5,21H2,1H3;6H,7H2,1-5H3/t16-;2*15-;13-;/m0000./s1
• InChIKey: UIKNRYZAIRHUBN-IYIFPYPNSA-N
• XLogP: 17.81
• TPSA: 369.47 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 36
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1814.39
LogP ≤ 5	17.81
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-1-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;bis((4S)-4-(2-hydroxyethylamino)-1-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one);(4S)-4-(propylamino)-1-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one?

The IUPAC name of (4S)-4-amino-1-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;bis((4S)-4-(2-hydroxyethylamino)-1-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one);(4S)-4-(propylamino)-1-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one (CID 161101002) is (4S)-4-amino-1-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;bis((4S)-4-(2-hydroxyethylamino)-1-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one);(4S)-4-(propylamino)-1-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one.

What is the SMILES notation for (4S)-4-amino-1-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;bis((4S)-4-(2-hydroxyethylamino)-1-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one);(4S)-4-(propylamino)-1-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one?

The canonical SMILES for (4S)-4-amino-1-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;bis((4S)-4-(2-hydroxyethylamino)-1-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one);(4S)-4-(propylamino)-1-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one is CC(C)(C)[Si](C)(C)OCC=O.CCCN[C@@H](C)CCC(=O)c1ccnc(-c2cnn3ccc(-c4cccs4)nc23)c1.C[C@@H](CCC(=O)c1ccnc(-c2cnn3ccc(-c4cccs4)nc23)c1)NCCO.C[C@@H](CCC(=O)c1ccnc(-c2cnn3ccc(-c4cccs4)nc23)c1)NCCO.C[C@H](N)CCC(=O)c1ccnc(-c2cnn3ccc(-c4cccs4)nc23)c1.

What is the InChIKey of (4S)-4-amino-1-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;bis((4S)-4-(2-hydroxyethylamino)-1-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one);(4S)-4-(propylamino)-1-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one?

The InChIKey is UIKNRYZAIRHUBN-IYIFPYPNSA-N. The full InChI is InChI=1S/C23H25N5OS.2C22H23N5O2S.C20H19N5OS.C8H18O2Si/c1-3-10-24-16(2)6-7-21(29)17-8-11-25-20(14-17)18-15-26-28-12-9-19(27-23(18)28)22-5-4-13-30-22;2*1-15(23-9-11-28)4-5-20(29)16-6-8-24-19(13-16)17-14-25-27-10-7-18(26-22(17)27)21-3-2-12-30-21;1-13(21)4-5-18(26)14-6-8-22-17(11-14)15-12-23-25-9-7-16(24-20(15)25)19-3-2-10-27-19;1-8(2,3)11(4,5)10-7-6-9/h4-5,8-9,11-16,24H,3,6-7,10H2,1-2H3;2*2-3,6-8,10,12-15,23,28H,4-5,9,11H2,1H3;2-3,6-13H,4-5,21H2,1H3;6H,7H2,1-5H3/t16-;2*15-;13-;/m0000./s1.

What are the key properties of (4S)-4-amino-1-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;bis((4S)-4-(2-hydroxyethylamino)-1-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one);(4S)-4-(propylamino)-1-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one?

(4S)-4-amino-1-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;bis((4S)-4-(2-hydroxyethylamino)-1-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one);(4S)-4-(propylamino)-1-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one has a molecular weight of 1814.39 g/mol, XLogP of 17.81, 36 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-amino-1-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one;2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde;bis((4S)-4-(2-hydroxyethylamino)-1-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one);(4S)-4-(propylamino)-1-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]pentan-1-one is sourced from PubChem (CID 161101002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).