2-[(2S)-1-[7-[(3-aminocyclohexyl)amino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;1-N-(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,3-diamine;cyclohexane-1,3-diamine;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;1-[3-[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexyl]but-3-en-2-one;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride

C84H130Cl4N22O5 — CID 157443160

About 2-[(2S)-1-[7-[(3-aminocyclohexyl)amino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;1-N-(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,3-diamine;cyclohexane-1,3-diamine;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;1-[3-[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexyl]but-3-en-2-one;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride

2-[(2S)-1-[7-[(3-aminocyclohexyl)amino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;1-N-(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,3-diamine;cyclohexane-1,3-diamine;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;1-[3-[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexyl]but-3-en-2-one;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride (PubChem CID 157443160) has the molecular formula C84H130Cl4N22O5 and a molecular weight of 1669.92 g/mol. Its IUPAC name is 2-[(2S)-1-[7-[(3-aminocyclohexyl)amino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;1-N-(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,3-diamine;cyclohexane-1,3-diamine;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;1-[3-[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexyl]but-3-en-2-one;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: 2-[(2S)-1-[7-[(3-aminocyclohexyl)amino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;1-N-(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,3-diamine;cyclohexane-1,3-diamine;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;1-[3-[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexyl]but-3-en-2-one;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride
• PubChem CID: 157443160
• Molecular Formula: C84H130Cl4N22O5
• Molecular Weight: 1669.92 g/mol
• Exact Mass: 1666.93
• IUPAC Name: 2-[(2S)-1-[7-[(3-aminocyclohexyl)amino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;1-N-(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,3-diamine;cyclohexane-1,3-diamine;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;1-[3-[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexyl]but-3-en-2-one;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride
• SMILES: C=CC(=O)CC1CCCC(Nc2cc(N3CCCC[C@H]3CCO)nc3c(CC)cnn23)C1.C=CC(=O)Cl.CCc1cnn2c(Cl)cc(Cl)nc12.CCc1cnn2c(NC3CCCC(N)C3)cc(Cl)nc12.CCc1cnn2c(NC3CCCC(N)C3)cc(N3CCCC[C@H]3CCO)nc12.NC1CCCC(N)C1.OCC[C@@H]1CCCCN1
• InChI: InChI=1S/C25H37N5O2.C21H34N6O.C14H20ClN5.C8H7Cl2N3.C7H15NO.C6H14N2.C3H3ClO/c1-3-19-17-26-30-24(27-20-9-7-8-18(14-20)15-22(32)4-2)16-23(28-25(19)30)29-12-6-5-10-21(29)11-13-31;1-2-15-14-23-27-20(24-17-7-5-6-16(22)12-17)13-19(25-21(15)27)26-10-4-3-8-18(26)9-11-28;1-2-9-8-17-20-13(7-12(15)19-14(9)20)18-11-5-3-4-10(16)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;7-5-2-1-3-6(8)4-5;1-2-3(4)5/h4,16-18,20-21,27,31H,2-3,5-15H2,1H3;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/t18?,20?,21-;16?,17?,18-;;;7-;;/m00..0../s1
• InChIKey: BRXJPMVINSVWSY-UAXDKOKUSA-N
• XLogP: 13.75
• TPSA: 374.27 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 27
• Rotatable Bonds: 22
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1669.92
LogP ≤ 5	13.75
H-Bond Donors ≤ 5	11
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-[(3-aminocyclohexyl)amino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;1-N-(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,3-diamine;cyclohexane-1,3-diamine;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;1-[3-[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexyl]but-3-en-2-one;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride?

The IUPAC name of 2-[(2S)-1-[7-[(3-aminocyclohexyl)amino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;1-N-(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,3-diamine;cyclohexane-1,3-diamine;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;1-[3-[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexyl]but-3-en-2-one;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride (CID 157443160) is 2-[(2S)-1-[7-[(3-aminocyclohexyl)amino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;1-N-(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,3-diamine;cyclohexane-1,3-diamine;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;1-[3-[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexyl]but-3-en-2-one;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride.

What is the SMILES notation for 2-[(2S)-1-[7-[(3-aminocyclohexyl)amino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;1-N-(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,3-diamine;cyclohexane-1,3-diamine;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;1-[3-[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexyl]but-3-en-2-one;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride?

The canonical SMILES for 2-[(2S)-1-[7-[(3-aminocyclohexyl)amino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;1-N-(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,3-diamine;cyclohexane-1,3-diamine;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;1-[3-[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexyl]but-3-en-2-one;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride is C=CC(=O)CC1CCCC(Nc2cc(N3CCCC[C@H]3CCO)nc3c(CC)cnn23)C1.C=CC(=O)Cl.CCc1cnn2c(Cl)cc(Cl)nc12.CCc1cnn2c(NC3CCCC(N)C3)cc(Cl)nc12.CCc1cnn2c(NC3CCCC(N)C3)cc(N3CCCC[C@H]3CCO)nc12.NC1CCCC(N)C1.OCC[C@@H]1CCCCN1.

What is the InChIKey of 2-[(2S)-1-[7-[(3-aminocyclohexyl)amino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;1-N-(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,3-diamine;cyclohexane-1,3-diamine;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;1-[3-[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexyl]but-3-en-2-one;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride?

The InChIKey is BRXJPMVINSVWSY-UAXDKOKUSA-N. The full InChI is InChI=1S/C25H37N5O2.C21H34N6O.C14H20ClN5.C8H7Cl2N3.C7H15NO.C6H14N2.C3H3ClO/c1-3-19-17-26-30-24(27-20-9-7-8-18(14-20)15-22(32)4-2)16-23(28-25(19)30)29-12-6-5-10-21(29)11-13-31;1-2-15-14-23-27-20(24-17-7-5-6-16(22)12-17)13-19(25-21(15)27)26-10-4-3-8-18(26)9-11-28;1-2-9-8-17-20-13(7-12(15)19-14(9)20)18-11-5-3-4-10(16)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;7-5-2-1-3-6(8)4-5;1-2-3(4)5/h4,16-18,20-21,27,31H,2-3,5-15H2,1H3;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/t18?,20?,21-;16?,17?,18-;;;7-;;/m00..0../s1.

What are the key properties of 2-[(2S)-1-[7-[(3-aminocyclohexyl)amino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;1-N-(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,3-diamine;cyclohexane-1,3-diamine;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;1-[3-[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexyl]but-3-en-2-one;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride?

2-[(2S)-1-[7-[(3-aminocyclohexyl)amino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;1-N-(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,3-diamine;cyclohexane-1,3-diamine;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;1-[3-[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexyl]but-3-en-2-one;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride has a molecular weight of 1669.92 g/mol, XLogP of 13.75, 22 rotatable bonds, 11 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S)-1-[7-[(3-aminocyclohexyl)amino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;1-N-(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,3-diamine;cyclohexane-1,3-diamine;5,7-dichloro-3-ethylpyrazolo[1,5-a]pyrimidine;1-[3-[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexyl]but-3-en-2-one;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride is sourced from PubChem (CID 157443160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).