1-(2-aminoethyl)cyclopropan-1-ol;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;bis(ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate);bis(7-ethyl-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid);2-methoxypyridin-3-amine;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C117H142ClN35O27 — CID 158208388

About 1-(2-aminoethyl)cyclopropan-1-ol;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;bis(ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate);bis(7-ethyl-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid);2-methoxypyridin-3-amine;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

1-(2-aminoethyl)cyclopropan-1-ol;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;bis(ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate);bis(7-ethyl-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid);2-methoxypyridin-3-amine;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 158208388) has the molecular formula C117H142ClN35O27 and a molecular weight of 2506.09 g/mol. Its IUPAC name is 1-(2-aminoethyl)cyclopropan-1-ol;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;bis(ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate);bis(7-ethyl-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid);2-methoxypyridin-3-amine;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

• Compound Name: 1-(2-aminoethyl)cyclopropan-1-ol;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;bis(ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate);bis(7-ethyl-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid);2-methoxypyridin-3-amine;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
• PubChem CID: 158208388
• Molecular Formula: C117H142ClN35O27
• Molecular Weight: 2506.09 g/mol
• Exact Mass: 2504.05
• IUPAC Name: 1-(2-aminoethyl)cyclopropan-1-ol;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;bis(ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate);bis(7-ethyl-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid);2-methoxypyridin-3-amine;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
• 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)nc12.CCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cccnc3OC)nc12.CCc1cc(Nc2cccnc2OC)nc2c(C(=O)O)cnn12.CCc1cc(Nc2cccnc2OC)nc2c(C(=O)O)cnn12.COc1ncccc1N.COc1ncccc1Nc1cc(N(C)C(=O)OC(C)(C)C)n2ncc(C(=O)O)c2n1.NCCC1(O)CC1
• InChI: InChI=1S/2C21H26N6O5.C19H22N6O5.C15H19ClN4O4.2C15H15N5O3.C6H8N2O.C5H11NO/c2*1-7-31-19(28)13-12-23-27-16(26(5)20(29)32-21(2,3)4)11-15(25-17(13)27)24-14-9-8-10-22-18(14)30-6;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;2*1-3-9-7-12(18-11-5-4-6-16-14(11)23-2)19-13-10(15(21)22)8-17-20(9)13;1-9-6-5(7)3-2-4-8-6;6-4-3-5(7)1-2-5/h2*8-12H,7H2,1-6H3,(H,24,25);6-10H,1-5H3,(H,22,23)(H,26,27);7-8H,6H2,1-5H3;2*4-8H,3H2,1-2H3,(H,18,19)(H,21,22);2-4H,7H2,1H3;7H,1-4,6H2
• InChIKey: GBTPLIRMCFCYPO-UHFFFAOYSA-N
• XLogP: 17.53
• TPSA: 755.24 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 55
• Rotatable Bonds: 33
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2506.09
LogP ≤ 5	17.53
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	55

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)cyclopropan-1-ol;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;bis(ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate);bis(7-ethyl-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid);2-methoxypyridin-3-amine;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?

The IUPAC name of 1-(2-aminoethyl)cyclopropan-1-ol;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;bis(ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate);bis(7-ethyl-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid);2-methoxypyridin-3-amine;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 158208388) is 1-(2-aminoethyl)cyclopropan-1-ol;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;bis(ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate);bis(7-ethyl-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid);2-methoxypyridin-3-amine;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

What is the SMILES notation for 1-(2-aminoethyl)cyclopropan-1-ol;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;bis(ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate);bis(7-ethyl-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid);2-methoxypyridin-3-amine;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?

The canonical SMILES for 1-(2-aminoethyl)cyclopropan-1-ol;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;bis(ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate);bis(7-ethyl-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid);2-methoxypyridin-3-amine;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid 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)nc12.CCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cccnc3OC)nc12.CCc1cc(Nc2cccnc2OC)nc2c(C(=O)O)cnn12.CCc1cc(Nc2cccnc2OC)nc2c(C(=O)O)cnn12.COc1ncccc1N.COc1ncccc1Nc1cc(N(C)C(=O)OC(C)(C)C)n2ncc(C(=O)O)c2n1.NCCC1(O)CC1.

What is the InChIKey of 1-(2-aminoethyl)cyclopropan-1-ol;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;bis(ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate);bis(7-ethyl-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid);2-methoxypyridin-3-amine;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?

The InChIKey is GBTPLIRMCFCYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H26N6O5.C19H22N6O5.C15H19ClN4O4.2C15H15N5O3.C6H8N2O.C5H11NO/c2*1-7-31-19(28)13-12-23-27-16(26(5)20(29)32-21(2,3)4)11-15(25-17(13)27)24-14-9-8-10-22-18(14)30-6;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;2*1-3-9-7-12(18-11-5-4-6-16-14(11)23-2)19-13-10(15(21)22)8-17-20(9)13;1-9-6-5(7)3-2-4-8-6;6-4-3-5(7)1-2-5/h2*8-12H,7H2,1-6H3,(H,24,25);6-10H,1-5H3,(H,22,23)(H,26,27);7-8H,6H2,1-5H3;2*4-8H,3H2,1-2H3,(H,18,19)(H,21,22);2-4H,7H2,1H3;7H,1-4,6H2.

What are the key properties of 1-(2-aminoethyl)cyclopropan-1-ol;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;bis(ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate);bis(7-ethyl-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid);2-methoxypyridin-3-amine;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?

1-(2-aminoethyl)cyclopropan-1-ol;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;bis(ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate);bis(7-ethyl-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid);2-methoxypyridin-3-amine;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 2506.09 g/mol, XLogP of 17.53, 33 rotatable bonds, 11 hydrogen bond donors, and 55 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-aminoethyl)cyclopropan-1-ol;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;bis(ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate);bis(7-ethyl-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid);2-methoxypyridin-3-amine;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 158208388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).