tert-butyl (3R,4R)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-fluoro-5-methylphenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-fluoro-5-methylphenyl)carbamate;5-chloro-3-cyclopropyl-N-(3-fluoro-5-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;(3R,4R)-4-[[[3-cyclopropyl-7-(3-fluoro-5-methylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;5,7-dichloro-3-cyclopropylpyrazolo[1,5-a]pyrimidine;3-fluoro-5-methylaniline;methane

C115H140Cl4F5N25O9 — CID 165039138

About tert-butyl (3R,4R)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-fluoro-5-methylphenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-fluoro-5-methylphenyl)carbamate;5-chloro-3-cyclopropyl-N-(3-fluoro-5-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;(3R,4R)-4-[[[3-cyclopropyl-7-(3-fluoro-5-methylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;5,7-dichloro-3-cyclopropylpyrazolo[1,5-a]pyrimidine;3-fluoro-5-methylaniline;methane

tert-butyl (3R,4R)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-fluoro-5-methylphenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-fluoro-5-methylphenyl)carbamate;5-chloro-3-cyclopropyl-N-(3-fluoro-5-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;(3R,4R)-4-[[[3-cyclopropyl-7-(3-fluoro-5-methylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;5,7-dichloro-3-cyclopropylpyrazolo[1,5-a]pyrimidine;3-fluoro-5-methylaniline;methane (PubChem CID 165039138) has the molecular formula C115H140Cl4F5N25O9 and a molecular weight of 2253.35 g/mol. Its IUPAC name is tert-butyl (3R,4R)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-fluoro-5-methylphenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-fluoro-5-methylphenyl)carbamate;5-chloro-3-cyclopropyl-N-(3-fluoro-5-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;(3R,4R)-4-[[[3-cyclopropyl-7-(3-fluoro-5-methylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;5,7-dichloro-3-cyclopropylpyrazolo[1,5-a]pyrimidine;3-fluoro-5-methylaniline;methane.

Molecular Properties

• Compound Name: tert-butyl (3R,4R)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-fluoro-5-methylphenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-fluoro-5-methylphenyl)carbamate;5-chloro-3-cyclopropyl-N-(3-fluoro-5-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;(3R,4R)-4-[[[3-cyclopropyl-7-(3-fluoro-5-methylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;5,7-dichloro-3-cyclopropylpyrazolo[1,5-a]pyrimidine;3-fluoro-5-methylaniline;methane
• PubChem CID: 165039138
• Molecular Formula: C115H140Cl4F5N25O9
• Molecular Weight: 2253.35 g/mol
• Exact Mass: 2249.99
• IUPAC Name: tert-butyl (3R,4R)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-fluoro-5-methylphenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-fluoro-5-methylphenyl)carbamate;5-chloro-3-cyclopropyl-N-(3-fluoro-5-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;(3R,4R)-4-[[[3-cyclopropyl-7-(3-fluoro-5-methylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;5,7-dichloro-3-cyclopropylpyrazolo[1,5-a]pyrimidine;3-fluoro-5-methylaniline;methane
• SMILES: C.CC(C)(C)OC(=O)N1CC[C@H](CN)[C@@H](O)C1.Cc1cc(F)cc(N(C(=O)OC(C)(C)C)c2cc(Cl)nc3c(C4CC4)cnn23)c1.Cc1cc(F)cc(N(C(=O)OC(C)(C)C)c2cc(NC[C@H]3CCCC[C@@H]3O)nc3c(C4CC4)cnn23)c1.Cc1cc(F)cc(Nc2cc(Cl)nc3c(C4CC4)cnn23)c1.Cc1cc(F)cc(Nc2cc(NC[C@H]3CCNC[C@@H]3O)nc3c(C4CC4)cnn23)c1.Cc1cc(N)cc(F)c1.Clc1cc(Cl)n2ncc(C3CC3)c2n1
• InChI: InChI=1S/C28H36FN5O3.C22H27FN6O.C21H22ClFN4O2.C16H14ClFN4.C11H22N2O3.C9H7Cl2N3.C7H8FN.CH4/c1-17-11-20(29)13-21(12-17)33(27(36)37-28(2,3)4)25-14-24(30-15-19-7-5-6-8-23(19)35)32-26-22(18-9-10-18)16-31-34(25)26;1-13-6-16(23)8-17(7-13)27-21-9-20(25-10-15-4-5-24-12-19(15)30)28-22-18(14-2-3-14)11-26-29(21)22;1-12-7-14(23)9-15(8-12)26(20(28)29-21(2,3)4)18-10-17(22)25-19-16(13-5-6-13)11-24-27(18)19;1-9-4-11(18)6-12(5-9)20-15-7-14(17)21-16-13(10-2-3-10)8-19-22(15)16;1-11(2,3)16-10(15)13-5-4-8(6-12)9(14)7-13;10-7-3-8(11)14-9(13-7)6(4-12-14)5-1-2-5;1-5-2-6(8)4-7(9)3-5;/h11-14,16,18-19,23,35H,5-10,15H2,1-4H3,(H,30,32);6-9,11,14-15,19,24,27,30H,2-5,10,12H2,1H3,(H,25,28);7-11,13H,5-6H2,1-4H3;4-8,10,20H,2-3H2,1H3;8-9,14H,4-7,12H2,1-3H3;3-5H,1-2H2;2-4H,9H2,1H3;1H4/t19-,23+;15-,19+;;;8-,9+;;;/m11..1.../s1
• InChIKey: NVPRITCQYOJPBS-OAHPEVGPSA-N
• XLogP: 25.33
• TPSA: 412.45 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 31
• Rotatable Bonds: 20
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2253.35
LogP ≤ 5	25.33
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,4R)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-fluoro-5-methylphenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-fluoro-5-methylphenyl)carbamate;5-chloro-3-cyclopropyl-N-(3-fluoro-5-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;(3R,4R)-4-[[[3-cyclopropyl-7-(3-fluoro-5-methylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;5,7-dichloro-3-cyclopropylpyrazolo[1,5-a]pyrimidine;3-fluoro-5-methylaniline;methane?

The IUPAC name of tert-butyl (3R,4R)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-fluoro-5-methylphenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-fluoro-5-methylphenyl)carbamate;5-chloro-3-cyclopropyl-N-(3-fluoro-5-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;(3R,4R)-4-[[[3-cyclopropyl-7-(3-fluoro-5-methylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;5,7-dichloro-3-cyclopropylpyrazolo[1,5-a]pyrimidine;3-fluoro-5-methylaniline;methane (CID 165039138) is tert-butyl (3R,4R)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-fluoro-5-methylphenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-fluoro-5-methylphenyl)carbamate;5-chloro-3-cyclopropyl-N-(3-fluoro-5-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;(3R,4R)-4-[[[3-cyclopropyl-7-(3-fluoro-5-methylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;5,7-dichloro-3-cyclopropylpyrazolo[1,5-a]pyrimidine;3-fluoro-5-methylaniline;methane.

What is the SMILES notation for tert-butyl (3R,4R)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-fluoro-5-methylphenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-fluoro-5-methylphenyl)carbamate;5-chloro-3-cyclopropyl-N-(3-fluoro-5-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;(3R,4R)-4-[[[3-cyclopropyl-7-(3-fluoro-5-methylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;5,7-dichloro-3-cyclopropylpyrazolo[1,5-a]pyrimidine;3-fluoro-5-methylaniline;methane?

The canonical SMILES for tert-butyl (3R,4R)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-fluoro-5-methylphenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-fluoro-5-methylphenyl)carbamate;5-chloro-3-cyclopropyl-N-(3-fluoro-5-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;(3R,4R)-4-[[[3-cyclopropyl-7-(3-fluoro-5-methylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;5,7-dichloro-3-cyclopropylpyrazolo[1,5-a]pyrimidine;3-fluoro-5-methylaniline;methane is C.CC(C)(C)OC(=O)N1CC[C@H](CN)[C@@H](O)C1.Cc1cc(F)cc(N(C(=O)OC(C)(C)C)c2cc(Cl)nc3c(C4CC4)cnn23)c1.Cc1cc(F)cc(N(C(=O)OC(C)(C)C)c2cc(NC[C@H]3CCCC[C@@H]3O)nc3c(C4CC4)cnn23)c1.Cc1cc(F)cc(Nc2cc(Cl)nc3c(C4CC4)cnn23)c1.Cc1cc(F)cc(Nc2cc(NC[C@H]3CCNC[C@@H]3O)nc3c(C4CC4)cnn23)c1.Cc1cc(N)cc(F)c1.Clc1cc(Cl)n2ncc(C3CC3)c2n1.

What is the InChIKey of tert-butyl (3R,4R)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-fluoro-5-methylphenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-fluoro-5-methylphenyl)carbamate;5-chloro-3-cyclopropyl-N-(3-fluoro-5-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;(3R,4R)-4-[[[3-cyclopropyl-7-(3-fluoro-5-methylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;5,7-dichloro-3-cyclopropylpyrazolo[1,5-a]pyrimidine;3-fluoro-5-methylaniline;methane?

The InChIKey is NVPRITCQYOJPBS-OAHPEVGPSA-N. The full InChI is InChI=1S/C28H36FN5O3.C22H27FN6O.C21H22ClFN4O2.C16H14ClFN4.C11H22N2O3.C9H7Cl2N3.C7H8FN.CH4/c1-17-11-20(29)13-21(12-17)33(27(36)37-28(2,3)4)25-14-24(30-15-19-7-5-6-8-23(19)35)32-26-22(18-9-10-18)16-31-34(25)26;1-13-6-16(23)8-17(7-13)27-21-9-20(25-10-15-4-5-24-12-19(15)30)28-22-18(14-2-3-14)11-26-29(21)22;1-12-7-14(23)9-15(8-12)26(20(28)29-21(2,3)4)18-10-17(22)25-19-16(13-5-6-13)11-24-27(18)19;1-9-4-11(18)6-12(5-9)20-15-7-14(17)21-16-13(10-2-3-10)8-19-22(15)16;1-11(2,3)16-10(15)13-5-4-8(6-12)9(14)7-13;10-7-3-8(11)14-9(13-7)6(4-12-14)5-1-2-5;1-5-2-6(8)4-7(9)3-5;/h11-14,16,18-19,23,35H,5-10,15H2,1-4H3,(H,30,32);6-9,11,14-15,19,24,27,30H,2-5,10,12H2,1H3,(H,25,28);7-11,13H,5-6H2,1-4H3;4-8,10,20H,2-3H2,1H3;8-9,14H,4-7,12H2,1-3H3;3-5H,1-2H2;2-4H,9H2,1H3;1H4/t19-,23+;15-,19+;;;8-,9+;;;/m11..1.../s1.

What are the key properties of tert-butyl (3R,4R)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-fluoro-5-methylphenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-fluoro-5-methylphenyl)carbamate;5-chloro-3-cyclopropyl-N-(3-fluoro-5-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;(3R,4R)-4-[[[3-cyclopropyl-7-(3-fluoro-5-methylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;5,7-dichloro-3-cyclopropylpyrazolo[1,5-a]pyrimidine;3-fluoro-5-methylaniline;methane?

tert-butyl (3R,4R)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-fluoro-5-methylphenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-fluoro-5-methylphenyl)carbamate;5-chloro-3-cyclopropyl-N-(3-fluoro-5-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;(3R,4R)-4-[[[3-cyclopropyl-7-(3-fluoro-5-methylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;5,7-dichloro-3-cyclopropylpyrazolo[1,5-a]pyrimidine;3-fluoro-5-methylaniline;methane has a molecular weight of 2253.35 g/mol, XLogP of 25.33, 20 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3R,4R)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl N-(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)-N-(3-fluoro-5-methylphenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3-fluoro-5-methylphenyl)carbamate;5-chloro-3-cyclopropyl-N-(3-fluoro-5-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine;(3R,4R)-4-[[[3-cyclopropyl-7-(3-fluoro-5-methylanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;5,7-dichloro-3-cyclopropylpyrazolo[1,5-a]pyrimidine;3-fluoro-5-methylaniline;methane is sourced from PubChem (CID 165039138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).