3-amino-1-(oxan-4-yl)pyridin-2-one;tert-butyl N-[5-chloro-3-[[(3R)-3-hydroxycyclohexyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-[[(3R)-3-methoxycyclohexyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-methoxycyclohexyl]carbamoyl]-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(3R)-3-methoxycyclohexyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C104H142Cl2N26O20 — CID 159700721

About 3-amino-1-(oxan-4-yl)pyridin-2-one;tert-butyl N-[5-chloro-3-[[(3R)-3-hydroxycyclohexyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-[[(3R)-3-methoxycyclohexyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-methoxycyclohexyl]carbamoyl]-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(3R)-3-methoxycyclohexyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

3-amino-1-(oxan-4-yl)pyridin-2-one;tert-butyl N-[5-chloro-3-[[(3R)-3-hydroxycyclohexyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-[[(3R)-3-methoxycyclohexyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-methoxycyclohexyl]carbamoyl]-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(3R)-3-methoxycyclohexyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 159700721) has the molecular formula C104H142Cl2N26O20 and a molecular weight of 2147.35 g/mol. Its IUPAC name is 3-amino-1-(oxan-4-yl)pyridin-2-one;tert-butyl N-[5-chloro-3-[[(3R)-3-hydroxycyclohexyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-[[(3R)-3-methoxycyclohexyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-methoxycyclohexyl]carbamoyl]-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(3R)-3-methoxycyclohexyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 3-amino-1-(oxan-4-yl)pyridin-2-one;tert-butyl N-[5-chloro-3-[[(3R)-3-hydroxycyclohexyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-[[(3R)-3-methoxycyclohexyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-methoxycyclohexyl]carbamoyl]-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(3R)-3-methoxycyclohexyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 159700721
• Molecular Formula: C104H142Cl2N26O20
• Molecular Weight: 2147.35 g/mol
• Exact Mass: 2145.03
• IUPAC Name: 3-amino-1-(oxan-4-yl)pyridin-2-one;tert-butyl N-[5-chloro-3-[[(3R)-3-hydroxycyclohexyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-[[(3R)-3-methoxycyclohexyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-methoxycyclohexyl]carbamoyl]-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(3R)-3-methoxycyclohexyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)NC3CCC[C@@H](O)C3)cnn12.CNc1cc(Nc2cccn(C3CCOCC3)c2=O)nc2c(C(=O)NC3CCC[C@@H](OC)C3)cnn12.CO[C@@H]1CCCC(NC(=O)c2cnn3c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc23)C1.CO[C@@H]1CCCC(NC(=O)c2cnn3c(N(C)C(=O)OC(C)(C)C)cc(Nc4cccn(C5CCOCC5)c4=O)nc23)C1.Nc1cccn(C2CCOCC2)c1=O
• InChI: InChI=1S/C30H41N7O6.C25H33N7O4.C20H28ClN5O4.C19H26ClN5O4.C10H14N2O2/c1-30(2,3)43-29(40)35(4)25-17-24(33-23-10-7-13-36(28(23)39)20-11-14-42-15-12-20)34-26-22(18-31-37(25)26)27(38)32-19-8-6-9-21(16-19)41-5;1-26-22-14-21(29-20-7-4-10-31(25(20)34)17-8-11-36-12-9-17)30-23-19(15-27-32(22)23)24(33)28-16-5-3-6-18(13-16)35-2;1-20(2,3)30-19(28)25(4)16-10-15(21)24-17-14(11-22-26(16)17)18(27)23-12-7-6-8-13(9-12)29-5;1-19(2,3)29-18(28)24(4)15-9-14(20)23-16-13(10-21-25(15)16)17(27)22-11-6-5-7-12(26)8-11;11-9-2-1-5-12(10(9)13)8-3-6-14-7-4-8/h7,10,13,17-21H,6,8-9,11-12,14-16H2,1-5H3,(H,32,38)(H,33,34);4,7,10,14-18,26H,3,5-6,8-9,11-13H2,1-2H3,(H,28,33)(H,29,30);10-13H,6-9H2,1-5H3,(H,23,27);9-12,26H,5-8H2,1-4H3,(H,22,27);1-2,5,8H,3-4,6-7,11H2/t19?,21-;16?,18-;12?,13-;11?,12-;/m1111./s1
• InChIKey: MXOVKSLHAXTMBB-AIHDUKJYSA-N
• XLogP: 13.77
• TPSA: 529.50 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 39
• Rotatable Bonds: 22
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2147.35
LogP ≤ 5	13.77
H-Bond Donors ≤ 5	9
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-(oxan-4-yl)pyridin-2-one;tert-butyl N-[5-chloro-3-[[(3R)-3-hydroxycyclohexyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-[[(3R)-3-methoxycyclohexyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-methoxycyclohexyl]carbamoyl]-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(3R)-3-methoxycyclohexyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 3-amino-1-(oxan-4-yl)pyridin-2-one;tert-butyl N-[5-chloro-3-[[(3R)-3-hydroxycyclohexyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-[[(3R)-3-methoxycyclohexyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-methoxycyclohexyl]carbamoyl]-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(3R)-3-methoxycyclohexyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 159700721) is 3-amino-1-(oxan-4-yl)pyridin-2-one;tert-butyl N-[5-chloro-3-[[(3R)-3-hydroxycyclohexyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-[[(3R)-3-methoxycyclohexyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-methoxycyclohexyl]carbamoyl]-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(3R)-3-methoxycyclohexyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 3-amino-1-(oxan-4-yl)pyridin-2-one;tert-butyl N-[5-chloro-3-[[(3R)-3-hydroxycyclohexyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-[[(3R)-3-methoxycyclohexyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-methoxycyclohexyl]carbamoyl]-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(3R)-3-methoxycyclohexyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 3-amino-1-(oxan-4-yl)pyridin-2-one;tert-butyl N-[5-chloro-3-[[(3R)-3-hydroxycyclohexyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-[[(3R)-3-methoxycyclohexyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-methoxycyclohexyl]carbamoyl]-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(3R)-3-methoxycyclohexyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)NC3CCC[C@@H](O)C3)cnn12.CNc1cc(Nc2cccn(C3CCOCC3)c2=O)nc2c(C(=O)NC3CCC[C@@H](OC)C3)cnn12.CO[C@@H]1CCCC(NC(=O)c2cnn3c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc23)C1.CO[C@@H]1CCCC(NC(=O)c2cnn3c(N(C)C(=O)OC(C)(C)C)cc(Nc4cccn(C5CCOCC5)c4=O)nc23)C1.Nc1cccn(C2CCOCC2)c1=O.

What is the InChIKey of 3-amino-1-(oxan-4-yl)pyridin-2-one;tert-butyl N-[5-chloro-3-[[(3R)-3-hydroxycyclohexyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-[[(3R)-3-methoxycyclohexyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-methoxycyclohexyl]carbamoyl]-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(3R)-3-methoxycyclohexyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is MXOVKSLHAXTMBB-AIHDUKJYSA-N. The full InChI is InChI=1S/C30H41N7O6.C25H33N7O4.C20H28ClN5O4.C19H26ClN5O4.C10H14N2O2/c1-30(2,3)43-29(40)35(4)25-17-24(33-23-10-7-13-36(28(23)39)20-11-14-42-15-12-20)34-26-22(18-31-37(25)26)27(38)32-19-8-6-9-21(16-19)41-5;1-26-22-14-21(29-20-7-4-10-31(25(20)34)17-8-11-36-12-9-17)30-23-19(15-27-32(22)23)24(33)28-16-5-3-6-18(13-16)35-2;1-20(2,3)30-19(28)25(4)16-10-15(21)24-17-14(11-22-26(16)17)18(27)23-12-7-6-8-13(9-12)29-5;1-19(2,3)29-18(28)24(4)15-9-14(20)23-16-13(10-21-25(15)16)17(27)22-11-6-5-7-12(26)8-11;11-9-2-1-5-12(10(9)13)8-3-6-14-7-4-8/h7,10,13,17-21H,6,8-9,11-12,14-16H2,1-5H3,(H,32,38)(H,33,34);4,7,10,14-18,26H,3,5-6,8-9,11-13H2,1-2H3,(H,28,33)(H,29,30);10-13H,6-9H2,1-5H3,(H,23,27);9-12,26H,5-8H2,1-4H3,(H,22,27);1-2,5,8H,3-4,6-7,11H2/t19?,21-;16?,18-;12?,13-;11?,12-;/m1111./s1.

What are the key properties of 3-amino-1-(oxan-4-yl)pyridin-2-one;tert-butyl N-[5-chloro-3-[[(3R)-3-hydroxycyclohexyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-[[(3R)-3-methoxycyclohexyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-methoxycyclohexyl]carbamoyl]-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(3R)-3-methoxycyclohexyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

3-amino-1-(oxan-4-yl)pyridin-2-one;tert-butyl N-[5-chloro-3-[[(3R)-3-hydroxycyclohexyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-[[(3R)-3-methoxycyclohexyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-methoxycyclohexyl]carbamoyl]-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(3R)-3-methoxycyclohexyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 2147.35 g/mol, XLogP of 13.77, 22 rotatable bonds, 9 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-1-(oxan-4-yl)pyridin-2-one;tert-butyl N-[5-chloro-3-[[(3R)-3-hydroxycyclohexyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-chloro-3-[[(3R)-3-methoxycyclohexyl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[[(3R)-3-methoxycyclohexyl]carbamoyl]-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;N-[(3R)-3-methoxycyclohexyl]-7-(methylamino)-5-[[1-(oxan-4-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 159700721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).