2-[(2S)-1-[7-(4-aminoanilino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-(4-aminophenyl)carbamate;tert-butyl N-[4-[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]carbamate;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;N-[4-[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]prop-2-enamide;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride

C93H121Cl4N23O9 — CID 159275684

About 2-[(2S)-1-[7-(4-aminoanilino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-(4-aminophenyl)carbamate;tert-butyl N-[4-[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]carbamate;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;N-[4-[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]prop-2-enamide;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride

2-[(2S)-1-[7-(4-aminoanilino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-(4-aminophenyl)carbamate;tert-butyl N-[4-[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]carbamate;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;N-[4-[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]prop-2-enamide;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride (PubChem CID 159275684) has the molecular formula C93H121Cl4N23O9 and a molecular weight of 1846.95 g/mol. Its IUPAC name is 2-[(2S)-1-[7-(4-aminoanilino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-(4-aminophenyl)carbamate;tert-butyl N-[4-[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]carbamate;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;N-[4-[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]prop-2-enamide;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: 2-[(2S)-1-[7-(4-aminoanilino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-(4-aminophenyl)carbamate;tert-butyl N-[4-[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]carbamate;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;N-[4-[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]prop-2-enamide;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride
• PubChem CID: 159275684
• Molecular Formula: C93H121Cl4N23O9
• Molecular Weight: 1846.95 g/mol
• Exact Mass: 1843.85
• IUPAC Name: 2-[(2S)-1-[7-(4-aminoanilino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-(4-aminophenyl)carbamate;tert-butyl N-[4-[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]carbamate;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;N-[4-[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]prop-2-enamide;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride
• SMILES: C=CC(=O)Cl.C=CC(=O)Nc1ccc(Nc2cc(N3CCCC[C@H]3CCO)nc3c(CC)cnn23)cc1.CC(C)(C)OC(=O)Nc1ccc(N)cc1.CCc1cnn2c(Cl)cc(Cl)nc12.CCc1cnn2c(Nc3ccc(N)cc3)cc(N3CCCC[C@H]3CCO)nc12.CCc1cnn2c(Nc3ccc(NC(=O)OC(C)(C)C)cc3)cc(Cl)nc12.OCC[C@@H]1CCCCN1
• InChI: InChI=1S/C24H30N6O2.C21H28N6O.C19H22ClN5O2.C11H16N2O2.C8H7Cl2N3.C7H15NO.C3H3ClO/c1-3-17-16-25-30-22(26-18-8-10-19(11-9-18)27-23(32)4-2)15-21(28-24(17)30)29-13-6-5-7-20(29)12-14-31;1-2-15-14-23-27-20(24-17-8-6-16(22)7-9-17)13-19(25-21(15)27)26-11-4-3-5-18(26)10-12-28;1-5-12-11-21-25-16(10-15(20)24-17(12)25)22-13-6-8-14(9-7-13)23-18(26)27-19(2,3)4;1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9;1-2-5-4-11-13-7(10)3-6(9)12-8(5)13;9-6-4-7-3-1-2-5-8-7;1-2-3(4)5/h4,8-11,15-16,20,26,31H,2-3,5-7,12-14H2,1H3,(H,27,32);6-9,13-14,18,24,28H,2-5,10-12,22H2,1H3;6-11,22H,5H2,1-4H3,(H,23,26);4-7H,12H2,1-3H3,(H,13,14);3-4H,2H2,1H3;7-9H,1-6H2;2H,1H2/t20-;18-;;;;7-;/m00...0./s1
• InChIKey: KYGVAQDEFAKXEJ-JHMUDYKGSA-N
• XLogP: 18.96
• TPSA: 410.92 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 29
• Rotatable Bonds: 23
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1846.95
LogP ≤ 5	18.96
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[7-(4-aminoanilino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-(4-aminophenyl)carbamate;tert-butyl N-[4-[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]carbamate;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;N-[4-[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]prop-2-enamide;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride?

The IUPAC name of 2-[(2S)-1-[7-(4-aminoanilino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-(4-aminophenyl)carbamate;tert-butyl N-[4-[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]carbamate;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;N-[4-[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]prop-2-enamide;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride (CID 159275684) is 2-[(2S)-1-[7-(4-aminoanilino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-(4-aminophenyl)carbamate;tert-butyl N-[4-[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]carbamate;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;N-[4-[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]prop-2-enamide;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride.

What is the SMILES notation for 2-[(2S)-1-[7-(4-aminoanilino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-(4-aminophenyl)carbamate;tert-butyl N-[4-[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]carbamate;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;N-[4-[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]prop-2-enamide;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride?

The canonical SMILES for 2-[(2S)-1-[7-(4-aminoanilino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-(4-aminophenyl)carbamate;tert-butyl N-[4-[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]carbamate;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;N-[4-[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]prop-2-enamide;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride is C=CC(=O)Cl.C=CC(=O)Nc1ccc(Nc2cc(N3CCCC[C@H]3CCO)nc3c(CC)cnn23)cc1.CC(C)(C)OC(=O)Nc1ccc(N)cc1.CCc1cnn2c(Cl)cc(Cl)nc12.CCc1cnn2c(Nc3ccc(N)cc3)cc(N3CCCC[C@H]3CCO)nc12.CCc1cnn2c(Nc3ccc(NC(=O)OC(C)(C)C)cc3)cc(Cl)nc12.OCC[C@@H]1CCCCN1.

What is the InChIKey of 2-[(2S)-1-[7-(4-aminoanilino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-(4-aminophenyl)carbamate;tert-butyl N-[4-[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]carbamate;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;N-[4-[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]prop-2-enamide;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride?

The InChIKey is KYGVAQDEFAKXEJ-JHMUDYKGSA-N. The full InChI is InChI=1S/C24H30N6O2.C21H28N6O.C19H22ClN5O2.C11H16N2O2.C8H7Cl2N3.C7H15NO.C3H3ClO/c1-3-17-16-25-30-22(26-18-8-10-19(11-9-18)27-23(32)4-2)15-21(28-24(17)30)29-13-6-5-7-20(29)12-14-31;1-2-15-14-23-27-20(24-17-8-6-16(22)7-9-17)13-19(25-21(15)27)26-11-4-3-5-18(26)10-12-28;1-5-12-11-21-25-16(10-15(20)24-17(12)25)22-13-6-8-14(9-7-13)23-18(26)27-19(2,3)4;1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9;1-2-5-4-11-13-7(10)3-6(9)12-8(5)13;9-6-4-7-3-1-2-5-8-7;1-2-3(4)5/h4,8-11,15-16,20,26,31H,2-3,5-7,12-14H2,1H3,(H,27,32);6-9,13-14,18,24,28H,2-5,10-12,22H2,1H3;6-11,22H,5H2,1-4H3,(H,23,26);4-7H,12H2,1-3H3,(H,13,14);3-4H,2H2,1H3;7-9H,1-6H2;2H,1H2/t20-;18-;;;;7-;/m00...0./s1.

What are the key properties of 2-[(2S)-1-[7-(4-aminoanilino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-(4-aminophenyl)carbamate;tert-butyl N-[4-[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]carbamate;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;N-[4-[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]prop-2-enamide;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride?

2-[(2S)-1-[7-(4-aminoanilino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-(4-aminophenyl)carbamate;tert-butyl N-[4-[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]carbamate;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;N-[4-[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]prop-2-enamide;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride has a molecular weight of 1846.95 g/mol, XLogP of 18.96, 23 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S)-1-[7-(4-aminoanilino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-(4-aminophenyl)carbamate;tert-butyl N-[4-[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]carbamate;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;N-[4-[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]prop-2-enamide;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride is sourced from PubChem (CID 159275684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).