ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate;2-methoxypyridin-3-amine;5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine

C100H120ClN31O22 — CID 162074326

About ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate;2-methoxypyridin-3-amine;5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine

ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate;2-methoxypyridin-3-amine;5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine (PubChem CID 162074326) has the molecular formula C100H120ClN31O22 and a molecular weight of 2143.71 g/mol. Its IUPAC name is ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate;2-methoxypyridin-3-amine;5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

• Compound Name: ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate;2-methoxypyridin-3-amine;5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine
• PubChem CID: 162074326
• Molecular Formula: C100H120ClN31O22
• Molecular Weight: 2143.71 g/mol
• Exact Mass: 2141.89
• IUPAC Name: ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate;2-methoxypyridin-3-amine;5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine
• SMILES: CCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc12.CCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cccnc3OC)cc12.CNc1cc(Nc2cccnc2OC)nc2c(C(=O)NC3[C@H]4COC[C@@H]34)cnn12.CNc1cc(Nc2cccnc2OC)nc2c(C(=O)O)cnn12.COc1ncccc1N.COc1ncccc1Nc1cc(N(C)C(=O)OC(C)(C)C)n2ncc(C(=O)O)c2n1.NC1[C@H]2COC[C@@H]12
• InChI: InChI=1S/C22H27N5O5.C19H21N7O3.C19H22N6O5.C15H19ClN4O4.C14H14N6O3.C6H8N2O.C5H9NO/c1-7-31-20(28)15-13-24-27-17(15)11-14(25-16-9-8-10-23-19(16)30-6)12-18(27)26(5)21(29)32-22(2,3)4;1-20-15-6-14(23-13-4-3-5-21-19(13)28-2)24-17-10(7-22-26(15)17)18(27)25-16-11-8-29-9-12(11)16;1-19(2,3)30-18(28)24(4)14-9-13(22-12-7-6-8-20-16(12)29-5)23-15-11(17(26)27)10-21-25(14)15;1-6-23-13(21)9-8-17-20-11(7-10(16)18-12(9)20)19(5)14(22)24-15(2,3)4;1-15-11-6-10(18-9-4-3-5-16-13(9)23-2)19-12-8(14(21)22)7-17-20(11)12;1-9-6-5(7)3-2-4-8-6;6-5-3-1-7-2-4(3)5/h8-13,25H,7H2,1-6H3;3-7,11-12,16,20H,8-9H2,1-2H3,(H,23,24)(H,25,27);6-10H,1-5H3,(H,22,23)(H,26,27);7-8H,6H2,1-5H3;3-7,15H,1-2H3,(H,18,19)(H,21,22);2-4H,7H2,1H3;3-5H,1-2,6H2/t;11-,12+,16?;;;;;3-,4+,5?
• InChIKey: ZBMUAOQMURIPBV-RVBTXXDNSA-N
• XLogP: 13.08
• TPSA: 636.26 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 47
• Rotatable Bonds: 26
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2143.71
LogP ≤ 5	13.08
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate;2-methoxypyridin-3-amine;5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine?

The IUPAC name of ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate;2-methoxypyridin-3-amine;5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine (CID 162074326) is ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate;2-methoxypyridin-3-amine;5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine.

What is the SMILES notation for ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate;2-methoxypyridin-3-amine;5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine?

The canonical SMILES for ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate;2-methoxypyridin-3-amine;5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine is CCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc12.CCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cccnc3OC)cc12.CNc1cc(Nc2cccnc2OC)nc2c(C(=O)NC3[C@H]4COC[C@@H]34)cnn12.CNc1cc(Nc2cccnc2OC)nc2c(C(=O)O)cnn12.COc1ncccc1N.COc1ncccc1Nc1cc(N(C)C(=O)OC(C)(C)C)n2ncc(C(=O)O)c2n1.NC1[C@H]2COC[C@@H]12.

What is the InChIKey of ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate;2-methoxypyridin-3-amine;5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine?

The InChIKey is ZBMUAOQMURIPBV-RVBTXXDNSA-N. The full InChI is InChI=1S/C22H27N5O5.C19H21N7O3.C19H22N6O5.C15H19ClN4O4.C14H14N6O3.C6H8N2O.C5H9NO/c1-7-31-20(28)15-13-24-27-17(15)11-14(25-16-9-8-10-23-19(16)30-6)12-18(27)26(5)21(29)32-22(2,3)4;1-20-15-6-14(23-13-4-3-5-21-19(13)28-2)24-17-10(7-22-26(15)17)18(27)25-16-11-8-29-9-12(11)16;1-19(2,3)30-18(28)24(4)14-9-13(22-12-7-6-8-20-16(12)29-5)23-15-11(17(26)27)10-21-25(14)15;1-6-23-13(21)9-8-17-20-11(7-10(16)18-12(9)20)19(5)14(22)24-15(2,3)4;1-15-11-6-10(18-9-4-3-5-16-13(9)23-2)19-12-8(14(21)22)7-17-20(11)12;1-9-6-5(7)3-2-4-8-6;6-5-3-1-7-2-4(3)5/h8-13,25H,7H2,1-6H3;3-7,11-12,16,20H,8-9H2,1-2H3,(H,23,24)(H,25,27);6-10H,1-5H3,(H,22,23)(H,26,27);7-8H,6H2,1-5H3;3-7,15H,1-2H3,(H,18,19)(H,21,22);2-4H,7H2,1H3;3-5H,1-2,6H2/t;11-,12+,16?;;;;;3-,4+,5?.

What are the key properties of ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate;2-methoxypyridin-3-amine;5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine?

ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate;2-methoxypyridin-3-amine;5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine has a molecular weight of 2143.71 g/mol, XLogP of 13.08, 26 rotatable bonds, 11 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate;2-methoxypyridin-3-amine;5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[(2-methoxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 162074326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).