2-[(2S)-1-[7-[(4-aminocyclohexyl)amino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;4-N-(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine;cyclohexane-1,4-diamine;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]cyclohexyl]prop-2-enamide;methane;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride

C86H141Cl4N23O5 — CID 161083660

About 2-[(2S)-1-[7-[(4-aminocyclohexyl)amino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;4-N-(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine;cyclohexane-1,4-diamine;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]cyclohexyl]prop-2-enamide;methane;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride

2-[(2S)-1-[7-[(4-aminocyclohexyl)amino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;4-N-(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine;cyclohexane-1,4-diamine;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]cyclohexyl]prop-2-enamide;methane;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride (PubChem CID 161083660) has the molecular formula C86H141Cl4N23O5 and a molecular weight of 1719.04 g/mol. Its IUPAC name is 2-[(2S)-1-[7-[(4-aminocyclohexyl)amino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;4-N-(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine;cyclohexane-1,4-diamine;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]cyclohexyl]prop-2-enamide;methane;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: 2-[(2S)-1-[7-[(4-aminocyclohexyl)amino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;4-N-(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine;cyclohexane-1,4-diamine;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]cyclohexyl]prop-2-enamide;methane;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride
• PubChem CID: 161083660
• Molecular Formula: C86H141Cl4N23O5
• Molecular Weight: 1719.04 g/mol
• Exact Mass: 1716.02
• IUPAC Name: 2-[(2S)-1-[7-[(4-aminocyclohexyl)amino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;4-N-(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine;cyclohexane-1,4-diamine;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]cyclohexyl]prop-2-enamide;methane;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride
• SMILES: C.C.C.C=CC(=O)Cl.C=CC(=O)NC1CCC(Nc2cc(N3CCCC[C@H]3CCO)nc3c(CC)cnn23)CC1.CCc1cnn2c(Cl)cc(Cl)nc12.CCc1cnn2c(NC3CCC(N)CC3)cc(Cl)nc12.CCc1cnn2c(NC3CCC(N)CC3)cc(N3CCCC[C@H]3CCO)nc12.NC1CCC(N)CC1.OCC[C@@H]1CCCCN1
• InChI: InChI=1S/C24H36N6O2.C21H34N6O.C14H20ClN5.C8H7Cl2N3.C7H15NO.C6H14N2.C3H3ClO.3CH4/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;1-2-9-8-17-20-13(7-12(15)19-14(9)20)18-11-5-3-10(16)4-6-11;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;7-5-1-2-6(8)4-3-5;1-2-3(4)5;;;/h4,15-16,18-20,26,31H,2-3,5-14H2,1H3,(H,27,32);13-14,16-18,24,28H,2-12,22H2,1H3;7-8,10-11,18H,2-6,16H2,1H3;3-4H,2H2,1H3;7-9H,1-6H2;5-6H,1-4,7-8H2;2H,1H2;3*1H4/t18?,19?,20-;16?,17?,18-;;;7-;;;;;/m00..0...../s1
• InChIKey: UGFOGYJNDCTYOO-HAGFZMAYSA-N
• XLogP: 14.57
• TPSA: 386.30 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 27
• Rotatable Bonds: 21
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1719.04
LogP ≤ 5	14.57
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', '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-aminocyclohexyl)amino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;4-N-(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine;cyclohexane-1,4-diamine;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]cyclohexyl]prop-2-enamide;methane;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride?

The IUPAC name of 2-[(2S)-1-[7-[(4-aminocyclohexyl)amino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;4-N-(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine;cyclohexane-1,4-diamine;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]cyclohexyl]prop-2-enamide;methane;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride (CID 161083660) is 2-[(2S)-1-[7-[(4-aminocyclohexyl)amino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;4-N-(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine;cyclohexane-1,4-diamine;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]cyclohexyl]prop-2-enamide;methane;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride.

What is the SMILES notation for 2-[(2S)-1-[7-[(4-aminocyclohexyl)amino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;4-N-(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine;cyclohexane-1,4-diamine;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]cyclohexyl]prop-2-enamide;methane;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride?

The canonical SMILES for 2-[(2S)-1-[7-[(4-aminocyclohexyl)amino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;4-N-(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine;cyclohexane-1,4-diamine;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]cyclohexyl]prop-2-enamide;methane;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride is C.C.C.C=CC(=O)Cl.C=CC(=O)NC1CCC(Nc2cc(N3CCCC[C@H]3CCO)nc3c(CC)cnn23)CC1.CCc1cnn2c(Cl)cc(Cl)nc12.CCc1cnn2c(NC3CCC(N)CC3)cc(Cl)nc12.CCc1cnn2c(NC3CCC(N)CC3)cc(N3CCCC[C@H]3CCO)nc12.NC1CCC(N)CC1.OCC[C@@H]1CCCCN1.

What is the InChIKey of 2-[(2S)-1-[7-[(4-aminocyclohexyl)amino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;4-N-(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine;cyclohexane-1,4-diamine;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]cyclohexyl]prop-2-enamide;methane;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride?

The InChIKey is UGFOGYJNDCTYOO-HAGFZMAYSA-N. The full InChI is InChI=1S/C24H36N6O2.C21H34N6O.C14H20ClN5.C8H7Cl2N3.C7H15NO.C6H14N2.C3H3ClO.3CH4/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;1-2-9-8-17-20-13(7-12(15)19-14(9)20)18-11-5-3-10(16)4-6-11;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;7-5-1-2-6(8)4-3-5;1-2-3(4)5;;;/h4,15-16,18-20,26,31H,2-3,5-14H2,1H3,(H,27,32);13-14,16-18,24,28H,2-12,22H2,1H3;7-8,10-11,18H,2-6,16H2,1H3;3-4H,2H2,1H3;7-9H,1-6H2;5-6H,1-4,7-8H2;2H,1H2;3*1H4/t18?,19?,20-;16?,17?,18-;;;7-;;;;;/m00..0...../s1.

What are the key properties of 2-[(2S)-1-[7-[(4-aminocyclohexyl)amino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;4-N-(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine;cyclohexane-1,4-diamine;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]cyclohexyl]prop-2-enamide;methane;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride?

2-[(2S)-1-[7-[(4-aminocyclohexyl)amino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;4-N-(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine;cyclohexane-1,4-diamine;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]cyclohexyl]prop-2-enamide;methane;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride has a molecular weight of 1719.04 g/mol, XLogP of 14.57, 21 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S)-1-[7-[(4-aminocyclohexyl)amino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;4-N-(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine;cyclohexane-1,4-diamine;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]cyclohexyl]prop-2-enamide;methane;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride is sourced from PubChem (CID 161083660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).