2-amino-1-pyridin-2-ylethanol;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(2-oxo-5-pyridin-2-yl-1,3-oxazolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-6-methyl-3-(2-oxo-5-pyridin-2-yl-1,3-oxazolidin-3-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-pyridin-2-yl-1,3-oxazolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate;5-pyridin-2-yl-1,3-oxazolidin-2-one;hydrochloride

C97H106ClF6IN24O16 — CID 159485731

About 2-amino-1-pyridin-2-ylethanol;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(2-oxo-5-pyridin-2-yl-1,3-oxazolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-6-methyl-3-(2-oxo-5-pyridin-2-yl-1,3-oxazolidin-3-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-pyridin-2-yl-1,3-oxazolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate;5-pyridin-2-yl-1,3-oxazolidin-2-one;hydrochloride

2-amino-1-pyridin-2-ylethanol;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(2-oxo-5-pyridin-2-yl-1,3-oxazolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-6-methyl-3-(2-oxo-5-pyridin-2-yl-1,3-oxazolidin-3-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-pyridin-2-yl-1,3-oxazolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate;5-pyridin-2-yl-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 159485731) has the molecular formula C97H106ClF6IN24O16 and a molecular weight of 2140.41 g/mol. Its IUPAC name is 2-amino-1-pyridin-2-ylethanol;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(2-oxo-5-pyridin-2-yl-1,3-oxazolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-6-methyl-3-(2-oxo-5-pyridin-2-yl-1,3-oxazolidin-3-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-pyridin-2-yl-1,3-oxazolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate;5-pyridin-2-yl-1,3-oxazolidin-2-one;hydrochloride.

Molecular Properties

• Compound Name: 2-amino-1-pyridin-2-ylethanol;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(2-oxo-5-pyridin-2-yl-1,3-oxazolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-6-methyl-3-(2-oxo-5-pyridin-2-yl-1,3-oxazolidin-3-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-pyridin-2-yl-1,3-oxazolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate;5-pyridin-2-yl-1,3-oxazolidin-2-one;hydrochloride
• PubChem CID: 159485731
• Molecular Formula: C97H106ClF6IN24O16
• Molecular Weight: 2140.41 g/mol
• Exact Mass: 2138.69
• IUPAC Name: 2-amino-1-pyridin-2-ylethanol;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(2-oxo-5-pyridin-2-yl-1,3-oxazolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-6-methyl-3-(2-oxo-5-pyridin-2-yl-1,3-oxazolidin-3-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-pyridin-2-yl-1,3-oxazolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate;5-pyridin-2-yl-1,3-oxazolidin-2-one;hydrochloride
• SMILES: C[C@H]1Cn2ncc(I)c2CN1C(=O)OC(C)(C)C.C[C@H]1Cn2ncc(N3CC(c4ccccn4)OC3=O)c2CN1.C[C@H]1Cn2ncc(N3CC(c4ccccn4)OC3=O)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1.C[C@H]1Cn2ncc(N3CC(c4ccccn4)OC3=O)c2CN1C(=O)OC(C)(C)C.Cl.NCC(O)c1ccccn1.O=C(Nc1cc(F)c(F)c(F)c1)Oc1ccccc1.O=C1NCC(c2ccccn2)O1
• InChI: InChI=1S/C22H19F3N6O3.C20H25N5O4.C15H17N5O2.C13H8F3NO2.C12H18IN3O2.C8H8N2O2.C7H10N2O.ClH/c1-12-9-31-18(10-29(12)21(32)28-13-6-14(23)20(25)15(24)7-13)17(8-27-31)30-11-19(34-22(30)33)16-4-2-3-5-26-16;1-13-10-25-16(11-23(13)19(27)29-20(2,3)4)15(9-22-25)24-12-17(28-18(24)26)14-7-5-6-8-21-14;1-10-8-20-13(6-17-10)12(7-18-20)19-9-14(22-15(19)21)11-4-2-3-5-16-11;14-10-6-8(7-11(15)12(10)16)17-13(18)19-9-4-2-1-3-5-9;1-8-6-16-10(9(13)5-14-16)7-15(8)11(17)18-12(2,3)4;11-8-10-5-7(12-8)6-3-1-2-4-9-6;8-5-7(10)6-3-1-2-4-9-6;/h2-8,12,19H,9-11H2,1H3,(H,28,32);5-9,13,17H,10-12H2,1-4H3;2-5,7,10,14,17H,6,8-9H2,1H3;1-7H,(H,17,18);5,8H,6-7H2,1-4H3;1-4,7H,5H2,(H,10,11);1-4,7,10H,5,8H2;1H/t12-,19?;13-,17?;10-,14?;;8-;;;/m000.0.../s1
• InChIKey: OKMYOMAKRPZNLQ-WPVIZXRDSA-N
• XLogP: 16.11
• TPSA: 450.71 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 31
• Rotatable Bonds: 12
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2140.41
LogP ≤ 5	16.11
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-pyridin-2-ylethanol;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(2-oxo-5-pyridin-2-yl-1,3-oxazolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-6-methyl-3-(2-oxo-5-pyridin-2-yl-1,3-oxazolidin-3-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-pyridin-2-yl-1,3-oxazolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate;5-pyridin-2-yl-1,3-oxazolidin-2-one;hydrochloride?

The IUPAC name of 2-amino-1-pyridin-2-ylethanol;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(2-oxo-5-pyridin-2-yl-1,3-oxazolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-6-methyl-3-(2-oxo-5-pyridin-2-yl-1,3-oxazolidin-3-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-pyridin-2-yl-1,3-oxazolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate;5-pyridin-2-yl-1,3-oxazolidin-2-one;hydrochloride (CID 159485731) is 2-amino-1-pyridin-2-ylethanol;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(2-oxo-5-pyridin-2-yl-1,3-oxazolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-6-methyl-3-(2-oxo-5-pyridin-2-yl-1,3-oxazolidin-3-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-pyridin-2-yl-1,3-oxazolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate;5-pyridin-2-yl-1,3-oxazolidin-2-one;hydrochloride.

What is the SMILES notation for 2-amino-1-pyridin-2-ylethanol;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(2-oxo-5-pyridin-2-yl-1,3-oxazolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-6-methyl-3-(2-oxo-5-pyridin-2-yl-1,3-oxazolidin-3-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-pyridin-2-yl-1,3-oxazolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate;5-pyridin-2-yl-1,3-oxazolidin-2-one;hydrochloride?

The canonical SMILES for 2-amino-1-pyridin-2-ylethanol;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(2-oxo-5-pyridin-2-yl-1,3-oxazolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-6-methyl-3-(2-oxo-5-pyridin-2-yl-1,3-oxazolidin-3-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-pyridin-2-yl-1,3-oxazolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate;5-pyridin-2-yl-1,3-oxazolidin-2-one;hydrochloride is C[C@H]1Cn2ncc(I)c2CN1C(=O)OC(C)(C)C.C[C@H]1Cn2ncc(N3CC(c4ccccn4)OC3=O)c2CN1.C[C@H]1Cn2ncc(N3CC(c4ccccn4)OC3=O)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1.C[C@H]1Cn2ncc(N3CC(c4ccccn4)OC3=O)c2CN1C(=O)OC(C)(C)C.Cl.NCC(O)c1ccccn1.O=C(Nc1cc(F)c(F)c(F)c1)Oc1ccccc1.O=C1NCC(c2ccccn2)O1.

What is the InChIKey of 2-amino-1-pyridin-2-ylethanol;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(2-oxo-5-pyridin-2-yl-1,3-oxazolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-6-methyl-3-(2-oxo-5-pyridin-2-yl-1,3-oxazolidin-3-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-pyridin-2-yl-1,3-oxazolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate;5-pyridin-2-yl-1,3-oxazolidin-2-one;hydrochloride?

The InChIKey is OKMYOMAKRPZNLQ-WPVIZXRDSA-N. The full InChI is InChI=1S/C22H19F3N6O3.C20H25N5O4.C15H17N5O2.C13H8F3NO2.C12H18IN3O2.C8H8N2O2.C7H10N2O.ClH/c1-12-9-31-18(10-29(12)21(32)28-13-6-14(23)20(25)15(24)7-13)17(8-27-31)30-11-19(34-22(30)33)16-4-2-3-5-26-16;1-13-10-25-16(11-23(13)19(27)29-20(2,3)4)15(9-22-25)24-12-17(28-18(24)26)14-7-5-6-8-21-14;1-10-8-20-13(6-17-10)12(7-18-20)19-9-14(22-15(19)21)11-4-2-3-5-16-11;14-10-6-8(7-11(15)12(10)16)17-13(18)19-9-4-2-1-3-5-9;1-8-6-16-10(9(13)5-14-16)7-15(8)11(17)18-12(2,3)4;11-8-10-5-7(12-8)6-3-1-2-4-9-6;8-5-7(10)6-3-1-2-4-9-6;/h2-8,12,19H,9-11H2,1H3,(H,28,32);5-9,13,17H,10-12H2,1-4H3;2-5,7,10,14,17H,6,8-9H2,1H3;1-7H,(H,17,18);5,8H,6-7H2,1-4H3;1-4,7H,5H2,(H,10,11);1-4,7,10H,5,8H2;1H/t12-,19?;13-,17?;10-,14?;;8-;;;/m000.0.../s1.

What are the key properties of 2-amino-1-pyridin-2-ylethanol;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(2-oxo-5-pyridin-2-yl-1,3-oxazolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-6-methyl-3-(2-oxo-5-pyridin-2-yl-1,3-oxazolidin-3-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-pyridin-2-yl-1,3-oxazolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate;5-pyridin-2-yl-1,3-oxazolidin-2-one;hydrochloride?

2-amino-1-pyridin-2-ylethanol;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(2-oxo-5-pyridin-2-yl-1,3-oxazolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-6-methyl-3-(2-oxo-5-pyridin-2-yl-1,3-oxazolidin-3-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-pyridin-2-yl-1,3-oxazolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate;5-pyridin-2-yl-1,3-oxazolidin-2-one;hydrochloride has a molecular weight of 2140.41 g/mol, XLogP of 16.11, 12 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-1-pyridin-2-ylethanol;tert-butyl (6S)-3-iodo-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;tert-butyl (6S)-6-methyl-3-(2-oxo-5-pyridin-2-yl-1,3-oxazolidin-3-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate;(6S)-6-methyl-3-(2-oxo-5-pyridin-2-yl-1,3-oxazolidin-3-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;3-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-pyridin-2-yl-1,3-oxazolidin-2-one;phenyl N-(3,4,5-trifluorophenyl)carbamate;5-pyridin-2-yl-1,3-oxazolidin-2-one;hydrochloride is sourced from PubChem (CID 159485731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).