3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-[2-[(2R)-2-methoxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[2-[(2R)-2-methoxycyclobutyl]acetyl]-5-[[1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;3-[[3-[2-[(2R)-2-methoxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one

C100H130Cl2N22O20 — CID 158571928

About 3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-[2-[(2R)-2-methoxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[2-[(2R)-2-methoxycyclobutyl]acetyl]-5-[[1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;3-[[3-[2-[(2R)-2-methoxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one

3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-[2-[(2R)-2-methoxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[2-[(2R)-2-methoxycyclobutyl]acetyl]-5-[[1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;3-[[3-[2-[(2R)-2-methoxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one (PubChem CID 158571928) has the molecular formula C100H130Cl2N22O20 and a molecular weight of 2031.18 g/mol. Its IUPAC name is 3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-[2-[(2R)-2-methoxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[2-[(2R)-2-methoxycyclobutyl]acetyl]-5-[[1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;3-[[3-[2-[(2R)-2-methoxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one.

Molecular Properties

• Compound Name: 3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-[2-[(2R)-2-methoxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[2-[(2R)-2-methoxycyclobutyl]acetyl]-5-[[1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;3-[[3-[2-[(2R)-2-methoxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one
• PubChem CID: 158571928
• Molecular Formula: C100H130Cl2N22O20
• Molecular Weight: 2031.18 g/mol
• Exact Mass: 2028.92
• IUPAC Name: 3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-[2-[(2R)-2-methoxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[2-[(2R)-2-methoxycyclobutyl]acetyl]-5-[[1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;3-[[3-[2-[(2R)-2-methoxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one
• SMILES: CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)CC3CC[C@H]3O)cnn12.CNc1cc(Nc2cccn([C@@H]3CCCOC3)c2=O)nc2c(C(=O)CC3CC[C@H]3OC)cnn12.CO[C@@H]1CCC1CC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc12.CO[C@@H]1CCC1CC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cccn([C@@H]4CCCOC4)c3=O)nc12.Nc1cccn([C@@H]2CCCOC2)c1=O
• InChI: InChI=1S/C29H38N6O6.C24H30N6O4.C19H25ClN4O4.C18H23ClN4O4.C10H14N2O2/c1-29(2,3)41-28(38)33(4)25-15-24(31-21-9-6-12-34(27(21)37)19-8-7-13-40-17-19)32-26-20(16-30-35(25)26)22(36)14-18-10-11-23(18)39-5;1-25-22-12-21(27-18-6-3-9-29(24(18)32)16-5-4-10-34-14-16)28-23-17(13-26-30(22)23)19(31)11-15-7-8-20(15)33-2;1-19(2,3)28-18(26)23(4)16-9-15(20)22-17-12(10-21-24(16)17)13(25)8-11-6-7-14(11)27-5;1-18(2,3)27-17(26)22(4)15-8-14(19)21-16-11(9-20-23(15)16)13(25)7-10-5-6-12(10)24;11-9-4-1-5-12(10(9)13)8-3-2-6-14-7-8/h6,9,12,15-16,18-19,23H,7-8,10-11,13-14,17H2,1-5H3,(H,31,32);3,6,9,12-13,15-16,20,25H,4-5,7-8,10-11,14H2,1-2H3,(H,27,28);9-11,14H,6-8H2,1-5H3;8-10,12,24H,5-7H2,1-4H3;1,4-5,8H,2-3,6-7,11H2/t18?,19-,23-;15?,16-,20-;11?,14-;10?,12-;8-/m11111/s1
• InChIKey: HSEKZYUCBZXYKS-MDDBNYBCSA-N
• XLogP: 15.01
• TPSA: 481.38 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 39
• Rotatable Bonds: 26
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2031.18
LogP ≤ 5	15.01
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-[2-[(2R)-2-methoxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[2-[(2R)-2-methoxycyclobutyl]acetyl]-5-[[1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;3-[[3-[2-[(2R)-2-methoxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one?

The IUPAC name of 3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-[2-[(2R)-2-methoxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[2-[(2R)-2-methoxycyclobutyl]acetyl]-5-[[1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;3-[[3-[2-[(2R)-2-methoxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one (CID 158571928) is 3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-[2-[(2R)-2-methoxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[2-[(2R)-2-methoxycyclobutyl]acetyl]-5-[[1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;3-[[3-[2-[(2R)-2-methoxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one.

What is the SMILES notation for 3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-[2-[(2R)-2-methoxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[2-[(2R)-2-methoxycyclobutyl]acetyl]-5-[[1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;3-[[3-[2-[(2R)-2-methoxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one?

The canonical SMILES for 3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-[2-[(2R)-2-methoxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[2-[(2R)-2-methoxycyclobutyl]acetyl]-5-[[1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;3-[[3-[2-[(2R)-2-methoxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one is CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)CC3CC[C@H]3O)cnn12.CNc1cc(Nc2cccn([C@@H]3CCCOC3)c2=O)nc2c(C(=O)CC3CC[C@H]3OC)cnn12.CO[C@@H]1CCC1CC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc12.CO[C@@H]1CCC1CC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cccn([C@@H]4CCCOC4)c3=O)nc12.Nc1cccn([C@@H]2CCCOC2)c1=O.

What is the InChIKey of 3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-[2-[(2R)-2-methoxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[2-[(2R)-2-methoxycyclobutyl]acetyl]-5-[[1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;3-[[3-[2-[(2R)-2-methoxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one?

The InChIKey is HSEKZYUCBZXYKS-MDDBNYBCSA-N. The full InChI is InChI=1S/C29H38N6O6.C24H30N6O4.C19H25ClN4O4.C18H23ClN4O4.C10H14N2O2/c1-29(2,3)41-28(38)33(4)25-15-24(31-21-9-6-12-34(27(21)37)19-8-7-13-40-17-19)32-26-20(16-30-35(25)26)22(36)14-18-10-11-23(18)39-5;1-25-22-12-21(27-18-6-3-9-29(24(18)32)16-5-4-10-34-14-16)28-23-17(13-26-30(22)23)19(31)11-15-7-8-20(15)33-2;1-19(2,3)28-18(26)23(4)16-9-15(20)22-17-12(10-21-24(16)17)13(25)8-11-6-7-14(11)27-5;1-18(2,3)27-17(26)22(4)15-8-14(19)21-16-11(9-20-23(15)16)13(25)7-10-5-6-12(10)24;11-9-4-1-5-12(10(9)13)8-3-2-6-14-7-8/h6,9,12,15-16,18-19,23H,7-8,10-11,13-14,17H2,1-5H3,(H,31,32);3,6,9,12-13,15-16,20,25H,4-5,7-8,10-11,14H2,1-2H3,(H,27,28);9-11,14H,6-8H2,1-5H3;8-10,12,24H,5-7H2,1-4H3;1,4-5,8H,2-3,6-7,11H2/t18?,19-,23-;15?,16-,20-;11?,14-;10?,12-;8-/m11111/s1.

What are the key properties of 3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-[2-[(2R)-2-methoxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[2-[(2R)-2-methoxycyclobutyl]acetyl]-5-[[1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;3-[[3-[2-[(2R)-2-methoxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one?

3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-[2-[(2R)-2-methoxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[2-[(2R)-2-methoxycyclobutyl]acetyl]-5-[[1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;3-[[3-[2-[(2R)-2-methoxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one has a molecular weight of 2031.18 g/mol, XLogP of 15.01, 26 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-1-[(3R)-oxan-3-yl]pyridin-2-one;tert-butyl N-[5-chloro-3-[2-[(2R)-2-hydroxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-[2-[(2R)-2-methoxycyclobutyl]acetyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[2-[(2R)-2-methoxycyclobutyl]acetyl]-5-[[1-[(3R)-oxan-3-yl]-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;3-[[3-[2-[(2R)-2-methoxycyclobutyl]acetyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-[(3R)-oxan-3-yl]pyridin-2-one is sourced from PubChem (CID 158571928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).