3-amino-5-chloro-1-(oxan-3-yl)pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-3-[[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-amine

C97H119Cl5N26O21 — CID 157493345

About 3-amino-5-chloro-1-(oxan-3-yl)pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-3-[[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-amine

3-amino-5-chloro-1-(oxan-3-yl)pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-3-[[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-amine (PubChem CID 157493345) has the molecular formula C97H119Cl5N26O21 and a molecular weight of 2162.44 g/mol. Its IUPAC name is 3-amino-5-chloro-1-(oxan-3-yl)pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-3-[[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

• Compound Name: 3-amino-5-chloro-1-(oxan-3-yl)pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-3-[[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-amine
• PubChem CID: 157493345
• Molecular Formula: C97H119Cl5N26O21
• Molecular Weight: 2162.44 g/mol
• Exact Mass: 2158.75
• IUPAC Name: 3-amino-5-chloro-1-(oxan-3-yl)pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-3-[[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-amine
• SMILES: CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)NC3[C@H]4COC[C@@H]34)cnn12.CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)O)cnn12.CN(C(=O)OC(C)(C)C)c1cc(Nc2cc(Cl)cn(C3CCCOC3)c2=O)nc2c(C(=O)NC3[C@H]4COC[C@@H]34)cnn12.CNc1cc(Nc2cc(Cl)cn(C3CCCOC3)c2=O)nc2c(C(=O)NC3[C@H]4COC[C@@H]34)cnn12.NC1[C@H]2COC[C@@H]12.Nc1cc(Cl)cn(C2CCCOC2)c1=O
• InChI: InChI=1S/C28H34ClN7O6.C23H26ClN7O4.C18H22ClN5O4.C13H15ClN4O4.C10H13ClN2O2.C5H9NO/c1-28(2,3)42-27(39)34(4)22-9-21(31-20-8-15(29)11-35(26(20)38)16-6-5-7-40-12-16)32-24-17(10-30-36(22)24)25(37)33-23-18-13-41-14-19(18)23;1-25-19-6-18(27-17-5-12(24)8-30(23(17)33)13-3-2-4-34-9-13)28-21-14(7-26-31(19)21)22(32)29-20-15-10-35-11-16(15)20;1-18(2,3)28-17(26)23(4)13-5-12(19)21-15-9(6-20-24(13)15)16(25)22-14-10-7-27-8-11(10)14;1-13(2,3)22-12(21)17(4)9-5-8(14)16-10-7(11(19)20)6-15-18(9)10;11-7-4-9(12)10(14)13(5-7)8-2-1-3-15-6-8;6-5-3-1-7-2-4(3)5/h8-11,16,18-19,23H,5-7,12-14H2,1-4H3,(H,31,32)(H,33,37);5-8,13,15-16,20,25H,2-4,9-11H2,1H3,(H,27,28)(H,29,32);5-6,10-11,14H,7-8H2,1-4H3,(H,22,25);5-6H,1-4H3,(H,19,20);4-5,8H,1-3,6,12H2;3-5H,1-2,6H2/t16?,18-,19+,23?;13?,15-,16+,20?;10-,11+,14?;;;3-,4+,5?
• InChIKey: BXNNQDMQBCJURF-CIYJQVQKSA-N
• XLogP: 11.05
• TPSA: 552.72 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 40
• Rotatable Bonds: 18
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2162.44
LogP ≤ 5	11.05
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-1-(oxan-3-yl)pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-3-[[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-amine?

The IUPAC name of 3-amino-5-chloro-1-(oxan-3-yl)pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-3-[[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-amine (CID 157493345) is 3-amino-5-chloro-1-(oxan-3-yl)pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-3-[[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-amine.

What is the SMILES notation for 3-amino-5-chloro-1-(oxan-3-yl)pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-3-[[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-amine?

The canonical SMILES for 3-amino-5-chloro-1-(oxan-3-yl)pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-3-[[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-amine is CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)NC3[C@H]4COC[C@@H]34)cnn12.CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)O)cnn12.CN(C(=O)OC(C)(C)C)c1cc(Nc2cc(Cl)cn(C3CCCOC3)c2=O)nc2c(C(=O)NC3[C@H]4COC[C@@H]34)cnn12.CNc1cc(Nc2cc(Cl)cn(C3CCCOC3)c2=O)nc2c(C(=O)NC3[C@H]4COC[C@@H]34)cnn12.NC1[C@H]2COC[C@@H]12.Nc1cc(Cl)cn(C2CCCOC2)c1=O.

What is the InChIKey of 3-amino-5-chloro-1-(oxan-3-yl)pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-3-[[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-amine?

The InChIKey is BXNNQDMQBCJURF-CIYJQVQKSA-N. The full InChI is InChI=1S/C28H34ClN7O6.C23H26ClN7O4.C18H22ClN5O4.C13H15ClN4O4.C10H13ClN2O2.C5H9NO/c1-28(2,3)42-27(39)34(4)22-9-21(31-20-8-15(29)11-35(26(20)38)16-6-5-7-40-12-16)32-24-17(10-30-36(22)24)25(37)33-23-18-13-41-14-19(18)23;1-25-19-6-18(27-17-5-12(24)8-30(23(17)33)13-3-2-4-34-9-13)28-21-14(7-26-31(19)21)22(32)29-20-15-10-35-11-16(15)20;1-18(2,3)28-17(26)23(4)13-5-12(19)21-15-9(6-20-24(13)15)16(25)22-14-10-7-27-8-11(10)14;1-13(2,3)22-12(21)17(4)9-5-8(14)16-10-7(11(19)20)6-15-18(9)10;11-7-4-9(12)10(14)13(5-7)8-2-1-3-15-6-8;6-5-3-1-7-2-4(3)5/h8-11,16,18-19,23H,5-7,12-14H2,1-4H3,(H,31,32)(H,33,37);5-8,13,15-16,20,25H,2-4,9-11H2,1H3,(H,27,28)(H,29,32);5-6,10-11,14H,7-8H2,1-4H3,(H,22,25);5-6H,1-4H3,(H,19,20);4-5,8H,1-3,6,12H2;3-5H,1-2,6H2/t16?,18-,19+,23?;13?,15-,16+,20?;10-,11+,14?;;;3-,4+,5?.

What are the key properties of 3-amino-5-chloro-1-(oxan-3-yl)pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-3-[[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-amine?

3-amino-5-chloro-1-(oxan-3-yl)pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-3-[[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-amine has a molecular weight of 2162.44 g/mol, XLogP of 11.05, 18 rotatable bonds, 9 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-5-chloro-1-(oxan-3-yl)pyridin-2-one;tert-butyl N-[5-chloro-3-[[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-3-[[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-[[5-chloro-1-(oxan-3-yl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 157493345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).