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

C77H104Cl2N18O7 — CID 158324108

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

2-[(2R)-1-[7-[(3-aminophenyl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-[3-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]carbamate;N-[3-[[[3-ethyl-5-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]prop-2-enamide;2-[(2R)-piperidin-2-yl]ethanol;prop-2-enoyl chloride (PubChem CID 158324108) has the molecular formula C77H104Cl2N18O7 and a molecular weight of 1464.70 g/mol. Its IUPAC name is 2-[(2R)-1-[7-[(3-aminophenyl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-[3-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]carbamate;N-[3-[[[3-ethyl-5-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]prop-2-enamide;2-[(2R)-piperidin-2-yl]ethanol;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: 2-[(2R)-1-[7-[(3-aminophenyl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-[3-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]carbamate;N-[3-[[[3-ethyl-5-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]prop-2-enamide;2-[(2R)-piperidin-2-yl]ethanol;prop-2-enoyl chloride
• PubChem CID: 158324108
• Molecular Formula: C77H104Cl2N18O7
• Molecular Weight: 1464.70 g/mol
• Exact Mass: 1462.77
• IUPAC Name: 2-[(2R)-1-[7-[(3-aminophenyl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-[3-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]carbamate;N-[3-[[[3-ethyl-5-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]prop-2-enamide;2-[(2R)-piperidin-2-yl]ethanol;prop-2-enoyl chloride
• SMILES: C=CC(=O)Cl.C=CC(=O)Nc1cccc(CNc2cc(N3CCCC[C@@H]3CCO)nc3c(CC)cnn23)c1.CCc1cnn2c(NCc3cccc(N)c3)cc(N3CCCC[C@@H]3CCO)nc12.CCc1cnn2c(NCc3cccc(NC(=O)OC(C)(C)C)c3)cc(Cl)nc12.OCC[C@H]1CCCCN1
• InChI: InChI=1S/C25H32N6O2.C22H30N6O.C20H24ClN5O2.C7H15NO.C3H3ClO/c1-3-19-17-27-31-22(26-16-18-8-7-9-20(14-18)28-24(33)4-2)15-23(29-25(19)31)30-12-6-5-10-21(30)11-13-32;1-2-17-15-25-28-20(24-14-16-6-5-7-18(23)12-16)13-21(26-22(17)28)27-10-4-3-8-19(27)9-11-29;1-5-14-12-23-26-17(10-16(21)25-18(14)26)22-11-13-7-6-8-15(9-13)24-19(27)28-20(2,3)4;9-6-4-7-3-1-2-5-8-7;1-2-3(4)5/h4,7-9,14-15,17,21,26,32H,2-3,5-6,10-13,16H2,1H3,(H,28,33);5-7,12-13,15,19,24,29H,2-4,8-11,14,23H2,1H3;6-10,12,22H,5,11H2,1-4H3,(H,24,27);7-9H,1-6H2;2H,1H2/t21-;19-;;7-;/m11.1./s1
• InChIKey: GPEWQRCWMGEVEP-DMCGNBDJSA-N
• XLogP: 13.35
• TPSA: 316.38 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 23
• Rotatable Bonds: 24
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1464.70
LogP ≤ 5	13.35
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'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-[(2R)-1-[7-[(3-aminophenyl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-[3-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]carbamate;N-[3-[[[3-ethyl-5-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]prop-2-enamide;2-[(2R)-piperidin-2-yl]ethanol;prop-2-enoyl chloride?

The IUPAC name of 2-[(2R)-1-[7-[(3-aminophenyl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-[3-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]carbamate;N-[3-[[[3-ethyl-5-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]prop-2-enamide;2-[(2R)-piperidin-2-yl]ethanol;prop-2-enoyl chloride (CID 158324108) is 2-[(2R)-1-[7-[(3-aminophenyl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-[3-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]carbamate;N-[3-[[[3-ethyl-5-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]prop-2-enamide;2-[(2R)-piperidin-2-yl]ethanol;prop-2-enoyl chloride.

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

The canonical SMILES for 2-[(2R)-1-[7-[(3-aminophenyl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-[3-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]carbamate;N-[3-[[[3-ethyl-5-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]prop-2-enamide;2-[(2R)-piperidin-2-yl]ethanol;prop-2-enoyl chloride is C=CC(=O)Cl.C=CC(=O)Nc1cccc(CNc2cc(N3CCCC[C@@H]3CCO)nc3c(CC)cnn23)c1.CCc1cnn2c(NCc3cccc(N)c3)cc(N3CCCC[C@@H]3CCO)nc12.CCc1cnn2c(NCc3cccc(NC(=O)OC(C)(C)C)c3)cc(Cl)nc12.OCC[C@H]1CCCCN1.

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

The InChIKey is GPEWQRCWMGEVEP-DMCGNBDJSA-N. The full InChI is InChI=1S/C25H32N6O2.C22H30N6O.C20H24ClN5O2.C7H15NO.C3H3ClO/c1-3-19-17-27-31-22(26-16-18-8-7-9-20(14-18)28-24(33)4-2)15-23(29-25(19)31)30-12-6-5-10-21(30)11-13-32;1-2-17-15-25-28-20(24-14-16-6-5-7-18(23)12-16)13-21(26-22(17)28)27-10-4-3-8-19(27)9-11-29;1-5-14-12-23-26-17(10-16(21)25-18(14)26)22-11-13-7-6-8-15(9-13)24-19(27)28-20(2,3)4;9-6-4-7-3-1-2-5-8-7;1-2-3(4)5/h4,7-9,14-15,17,21,26,32H,2-3,5-6,10-13,16H2,1H3,(H,28,33);5-7,12-13,15,19,24,29H,2-4,8-11,14,23H2,1H3;6-10,12,22H,5,11H2,1-4H3,(H,24,27);7-9H,1-6H2;2H,1H2/t21-;19-;;7-;/m11.1./s1.

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

2-[(2R)-1-[7-[(3-aminophenyl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-[3-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]carbamate;N-[3-[[[3-ethyl-5-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]prop-2-enamide;2-[(2R)-piperidin-2-yl]ethanol;prop-2-enoyl chloride has a molecular weight of 1464.70 g/mol, XLogP of 13.35, 24 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-1-[7-[(3-aminophenyl)methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethanol;tert-butyl N-[3-[[(5-chloro-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]carbamate;N-[3-[[[3-ethyl-5-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]prop-2-enamide;2-[(2R)-piperidin-2-yl]ethanol;prop-2-enoyl chloride is sourced from PubChem (CID 158324108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).