tert-butyl 3-[(7-amino-6-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]piperidine-1-carboxylate;tert-butyl 3-[[7-[(4-methoxyphenyl)methylamino]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidine-1-carboxylate;tert-butyl 3-[[6-methyl-7-(prop-2-enoylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidine-1-carboxylate;5-chloro-N-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[1,5-a]pyrimidin-7-amine;cyclohexanamine;methane;N-[6-methyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]prop-2-enamide;prop-2-enoyl chloride

C102H143Cl2N29O11 — CID 159284599

About tert-butyl 3-[(7-amino-6-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]piperidine-1-carboxylate;tert-butyl 3-[[7-[(4-methoxyphenyl)methylamino]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidine-1-carboxylate;tert-butyl 3-[[6-methyl-7-(prop-2-enoylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidine-1-carboxylate;5-chloro-N-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[1,5-a]pyrimidin-7-amine;cyclohexanamine;methane;N-[6-methyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]prop-2-enamide;prop-2-enoyl chloride

tert-butyl 3-[(7-amino-6-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]piperidine-1-carboxylate;tert-butyl 3-[[7-[(4-methoxyphenyl)methylamino]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidine-1-carboxylate;tert-butyl 3-[[6-methyl-7-(prop-2-enoylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidine-1-carboxylate;5-chloro-N-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[1,5-a]pyrimidin-7-amine;cyclohexanamine;methane;N-[6-methyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]prop-2-enamide;prop-2-enoyl chloride (PubChem CID 159284599) has the molecular formula C102H143Cl2N29O11 and a molecular weight of 2022.36 g/mol. Its IUPAC name is tert-butyl 3-[(7-amino-6-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]piperidine-1-carboxylate;tert-butyl 3-[[7-[(4-methoxyphenyl)methylamino]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidine-1-carboxylate;tert-butyl 3-[[6-methyl-7-(prop-2-enoylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidine-1-carboxylate;5-chloro-N-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[1,5-a]pyrimidin-7-amine;cyclohexanamine;methane;N-[6-methyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]prop-2-enamide;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: tert-butyl 3-[(7-amino-6-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]piperidine-1-carboxylate;tert-butyl 3-[[7-[(4-methoxyphenyl)methylamino]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidine-1-carboxylate;tert-butyl 3-[[6-methyl-7-(prop-2-enoylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidine-1-carboxylate;5-chloro-N-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[1,5-a]pyrimidin-7-amine;cyclohexanamine;methane;N-[6-methyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]prop-2-enamide;prop-2-enoyl chloride
• PubChem CID: 159284599
• Molecular Formula: C102H143Cl2N29O11
• Molecular Weight: 2022.36 g/mol
• Exact Mass: 2020.09
• IUPAC Name: tert-butyl 3-[(7-amino-6-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]piperidine-1-carboxylate;tert-butyl 3-[[7-[(4-methoxyphenyl)methylamino]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidine-1-carboxylate;tert-butyl 3-[[6-methyl-7-(prop-2-enoylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidine-1-carboxylate;5-chloro-N-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[1,5-a]pyrimidin-7-amine;cyclohexanamine;methane;N-[6-methyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]prop-2-enamide;prop-2-enoyl chloride
• SMILES: C.C=CC(=O)Cl.C=CC(=O)Nc1c(C)c(NC2CCCN(C(=O)OC(C)(C)C)C2)nc2ccnn12.C=CC(=O)Nc1c(C)c(NC2CCCNC2)nc2ccnn12.COc1ccc(CNc2c(C)c(Cl)nc3ccnn23)cc1.COc1ccc(CNc2c(C)c(NC3CCCN(C(=O)OC(C)(C)C)C3)nc3ccnn23)cc1.Cc1c(NC2CCCN(C(=O)OC(C)(C)C)C2)nc2ccnn2c1N.NC1CCCCC1
• InChI: InChI=1S/C25H34N6O3.C20H28N6O3.C17H26N6O2.C15H15ClN4O.C15H20N6O.C6H13N.C3H3ClO.CH4/c1-17-22(28-19-7-6-14-30(16-19)24(32)34-25(2,3)4)29-21-12-13-27-31(21)23(17)26-15-18-8-10-20(33-5)11-9-18;1-6-16(27)24-18-13(2)17(23-15-9-10-21-26(15)18)22-14-8-7-11-25(12-14)19(28)29-20(3,4)5;1-11-14(18)23-13(7-8-19-23)21-15(11)20-12-6-5-9-22(10-12)16(24)25-17(2,3)4;1-10-14(16)19-13-7-8-18-20(13)15(10)17-9-11-3-5-12(21-2)6-4-11;1-3-13(22)20-15-10(2)14(18-11-5-4-7-16-9-11)19-12-6-8-17-21(12)15;7-6-4-2-1-3-5-6;1-2-3(4)5;/h8-13,19,26H,6-7,14-16H2,1-5H3,(H,28,29);6,9-10,14H,1,7-8,11-12H2,2-5H3,(H,22,23)(H,24,27);7-8,12H,5-6,9-10,18H2,1-4H3,(H,20,21);3-8,17H,9H2,1-2H3;3,6,8,11,16H,1,4-5,7,9H2,2H3,(H,18,19)(H,20,22);6H,1-5,7H2;2H,1H2;1H4
• InChIKey: KZISSZSSNKKEED-UHFFFAOYSA-N
• XLogP: 17.36
• TPSA: 469.55 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 35
• Rotatable Bonds: 21
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2022.36
LogP ≤ 5	17.36
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(7-amino-6-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]piperidine-1-carboxylate;tert-butyl 3-[[7-[(4-methoxyphenyl)methylamino]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidine-1-carboxylate;tert-butyl 3-[[6-methyl-7-(prop-2-enoylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidine-1-carboxylate;5-chloro-N-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[1,5-a]pyrimidin-7-amine;cyclohexanamine;methane;N-[6-methyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]prop-2-enamide;prop-2-enoyl chloride?

The IUPAC name of tert-butyl 3-[(7-amino-6-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]piperidine-1-carboxylate;tert-butyl 3-[[7-[(4-methoxyphenyl)methylamino]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidine-1-carboxylate;tert-butyl 3-[[6-methyl-7-(prop-2-enoylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidine-1-carboxylate;5-chloro-N-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[1,5-a]pyrimidin-7-amine;cyclohexanamine;methane;N-[6-methyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]prop-2-enamide;prop-2-enoyl chloride (CID 159284599) is tert-butyl 3-[(7-amino-6-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]piperidine-1-carboxylate;tert-butyl 3-[[7-[(4-methoxyphenyl)methylamino]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidine-1-carboxylate;tert-butyl 3-[[6-methyl-7-(prop-2-enoylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidine-1-carboxylate;5-chloro-N-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[1,5-a]pyrimidin-7-amine;cyclohexanamine;methane;N-[6-methyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]prop-2-enamide;prop-2-enoyl chloride.

What is the SMILES notation for tert-butyl 3-[(7-amino-6-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]piperidine-1-carboxylate;tert-butyl 3-[[7-[(4-methoxyphenyl)methylamino]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidine-1-carboxylate;tert-butyl 3-[[6-methyl-7-(prop-2-enoylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidine-1-carboxylate;5-chloro-N-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[1,5-a]pyrimidin-7-amine;cyclohexanamine;methane;N-[6-methyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]prop-2-enamide;prop-2-enoyl chloride?

The canonical SMILES for tert-butyl 3-[(7-amino-6-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]piperidine-1-carboxylate;tert-butyl 3-[[7-[(4-methoxyphenyl)methylamino]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidine-1-carboxylate;tert-butyl 3-[[6-methyl-7-(prop-2-enoylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidine-1-carboxylate;5-chloro-N-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[1,5-a]pyrimidin-7-amine;cyclohexanamine;methane;N-[6-methyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]prop-2-enamide;prop-2-enoyl chloride is C.C=CC(=O)Cl.C=CC(=O)Nc1c(C)c(NC2CCCN(C(=O)OC(C)(C)C)C2)nc2ccnn12.C=CC(=O)Nc1c(C)c(NC2CCCNC2)nc2ccnn12.COc1ccc(CNc2c(C)c(Cl)nc3ccnn23)cc1.COc1ccc(CNc2c(C)c(NC3CCCN(C(=O)OC(C)(C)C)C3)nc3ccnn23)cc1.Cc1c(NC2CCCN(C(=O)OC(C)(C)C)C2)nc2ccnn2c1N.NC1CCCCC1.

What is the InChIKey of tert-butyl 3-[(7-amino-6-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]piperidine-1-carboxylate;tert-butyl 3-[[7-[(4-methoxyphenyl)methylamino]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidine-1-carboxylate;tert-butyl 3-[[6-methyl-7-(prop-2-enoylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidine-1-carboxylate;5-chloro-N-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[1,5-a]pyrimidin-7-amine;cyclohexanamine;methane;N-[6-methyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]prop-2-enamide;prop-2-enoyl chloride?

The InChIKey is KZISSZSSNKKEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O3.C20H28N6O3.C17H26N6O2.C15H15ClN4O.C15H20N6O.C6H13N.C3H3ClO.CH4/c1-17-22(28-19-7-6-14-30(16-19)24(32)34-25(2,3)4)29-21-12-13-27-31(21)23(17)26-15-18-8-10-20(33-5)11-9-18;1-6-16(27)24-18-13(2)17(23-15-9-10-21-26(15)18)22-14-8-7-11-25(12-14)19(28)29-20(3,4)5;1-11-14(18)23-13(7-8-19-23)21-15(11)20-12-6-5-9-22(10-12)16(24)25-17(2,3)4;1-10-14(16)19-13-7-8-18-20(13)15(10)17-9-11-3-5-12(21-2)6-4-11;1-3-13(22)20-15-10(2)14(18-11-5-4-7-16-9-11)19-12-6-8-17-21(12)15;7-6-4-2-1-3-5-6;1-2-3(4)5;/h8-13,19,26H,6-7,14-16H2,1-5H3,(H,28,29);6,9-10,14H,1,7-8,11-12H2,2-5H3,(H,22,23)(H,24,27);7-8,12H,5-6,9-10,18H2,1-4H3,(H,20,21);3-8,17H,9H2,1-2H3;3,6,8,11,16H,1,4-5,7,9H2,2H3,(H,18,19)(H,20,22);6H,1-5,7H2;2H,1H2;1H4.

What are the key properties of tert-butyl 3-[(7-amino-6-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]piperidine-1-carboxylate;tert-butyl 3-[[7-[(4-methoxyphenyl)methylamino]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidine-1-carboxylate;tert-butyl 3-[[6-methyl-7-(prop-2-enoylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidine-1-carboxylate;5-chloro-N-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[1,5-a]pyrimidin-7-amine;cyclohexanamine;methane;N-[6-methyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]prop-2-enamide;prop-2-enoyl chloride?

tert-butyl 3-[(7-amino-6-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]piperidine-1-carboxylate;tert-butyl 3-[[7-[(4-methoxyphenyl)methylamino]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidine-1-carboxylate;tert-butyl 3-[[6-methyl-7-(prop-2-enoylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidine-1-carboxylate;5-chloro-N-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[1,5-a]pyrimidin-7-amine;cyclohexanamine;methane;N-[6-methyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]prop-2-enamide;prop-2-enoyl chloride has a molecular weight of 2022.36 g/mol, XLogP of 17.36, 21 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[(7-amino-6-methylpyrazolo[1,5-a]pyrimidin-5-yl)amino]piperidine-1-carboxylate;tert-butyl 3-[[7-[(4-methoxyphenyl)methylamino]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidine-1-carboxylate;tert-butyl 3-[[6-methyl-7-(prop-2-enoylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]piperidine-1-carboxylate;5-chloro-N-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[1,5-a]pyrimidin-7-amine;cyclohexanamine;methane;N-[6-methyl-5-(piperidin-3-ylamino)pyrazolo[1,5-a]pyrimidin-7-yl]prop-2-enamide;prop-2-enoyl chloride is sourced from PubChem (CID 159284599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).