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;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride

C59H93Cl4N17O3 — CID 158422632

IUPAC2-[(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;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride
SMILESC=CC(=O)Cl.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
InChIInChI=1S/C21H34N6O.C14H20ClN5.C8H7Cl2N3.C7H15NO.C6H14N2.C3H3ClO/c1-2-15-14-23-27-20(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/h13-14,16-18,24,28H,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/t16?,17?,18-;;;7-;;/m0..0../s1
InChIKeyHARAXENNAGTXQM-XTWXNKIUSA-N
MW1230.32 g/mol
LogP9.60
Rot. Bonds13

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;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;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride (PubChem CID 158422632) has the molecular formula C59H93Cl4N17O3 and a molecular weight of 1230.32 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;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride.

Molecular Properties

Compound Name2-[(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;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride
PubChem CID158422632
Molecular FormulaC59H93Cl4N17O3
Molecular Weight1230.32 g/mol
Exact Mass1227.64
IUPAC Name2-[(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;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride
SMILESC=CC(=O)Cl.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
InChIInChI=1S/C21H34N6O.C14H20ClN5.C8H7Cl2N3.C7H15NO.C6H14N2.C3H3ClO/c1-2-15-14-23-27-20(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/h13-14,16-18,24,28H,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/t16?,17?,18-;;;7-;;/m0..0../s1
InChIKeyHARAXENNAGTXQM-XTWXNKIUSA-N
XLogP9.60
TPSA291.51 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds13
Heavy Atoms83
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001230.32
LogP ≤ 59.60
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 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;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride with MolForge

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Related Compounds

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
4-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one;5-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one;4-[[[3-ethyl-5-[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one;5-[[[3-ethyl-5-[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1-methylpyridin-2-one
CID 158209776
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;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride
CID 158323852
2-[(2S)-1-[7-[[3-(buta-1,3-dien-2-ylamino)cyclohexyl]amino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;1-[3-[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-1-yl]prop-2-en-1-one;1-[3-[[8-ethyl-2-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one
CID 159004385
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;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride
CID 159923704
2-[1-[7-(3-aminoanilino)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;3-N-(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)benzene-1,3-diamine;N-[3-[[3-ethyl-5-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]phenyl]prop-2-enamide;2-piperidin-2-ylethanol;prop-2-enoyl chloride
CID 160376850
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

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;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;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride (CID 158422632) 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;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;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;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride is C=CC(=O)Cl.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;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride?
The InChIKey is HARAXENNAGTXQM-XTWXNKIUSA-N. The full InChI is InChI=1S/C21H34N6O.C14H20ClN5.C8H7Cl2N3.C7H15NO.C6H14N2.C3H3ClO/c1-2-15-14-23-27-20(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/h13-14,16-18,24,28H,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/t16?,17?,18-;;;7-;;/m0..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;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;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride has a molecular weight of 1230.32 g/mol, XLogP of 9.60, 13 rotatable bonds, 9 hydrogen bond donors, and 20 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;2-[(2S)-piperidin-2-yl]ethanol;prop-2-enoyl chloride is sourced from PubChem (CID 158422632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).