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

C110H125Cl4F10N25O9 — CID 165090196

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-(3,5-difluorophenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3,5-difluorophenyl)carbamate;5-chloro-3-cyclopropyl-N-(3,5-difluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;(3R,4R)-4-[[[3-cyclopropyl-7-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;5,7-dichloro-3-cyclopropylpyrazolo[1,5-a]pyrimidine;3,5-difluoroaniline;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-(3,5-difluorophenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3,5-difluorophenyl)carbamate;5-chloro-3-cyclopropyl-N-(3,5-difluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;(3R,4R)-4-[[[3-cyclopropyl-7-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;5,7-dichloro-3-cyclopropylpyrazolo[1,5-a]pyrimidine;3,5-difluoroaniline;methane (PubChem CID 165090196) has the molecular formula C110H125Cl4F10N25O9 and a molecular weight of 2273.17 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-(3,5-difluorophenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3,5-difluorophenyl)carbamate;5-chloro-3-cyclopropyl-N-(3,5-difluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;(3R,4R)-4-[[[3-cyclopropyl-7-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;5,7-dichloro-3-cyclopropylpyrazolo[1,5-a]pyrimidine;3,5-difluoroaniline;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-(3,5-difluorophenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3,5-difluorophenyl)carbamate;5-chloro-3-cyclopropyl-N-(3,5-difluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;(3R,4R)-4-[[[3-cyclopropyl-7-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;5,7-dichloro-3-cyclopropylpyrazolo[1,5-a]pyrimidine;3,5-difluoroaniline;methane
• PubChem CID: 165090196
• Molecular Formula: C110H125Cl4F10N25O9
• Molecular Weight: 2273.17 g/mol
• Exact Mass: 2269.87
• 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-(3,5-difluorophenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3,5-difluorophenyl)carbamate;5-chloro-3-cyclopropyl-N-(3,5-difluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;(3R,4R)-4-[[[3-cyclopropyl-7-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;5,7-dichloro-3-cyclopropylpyrazolo[1,5-a]pyrimidine;3,5-difluoroaniline;methane
• SMILES: C.CC(C)(C)OC(=O)N(c1cc(F)cc(F)c1)c1cc(Cl)nc2c(C3CC3)cnn12.CC(C)(C)OC(=O)N(c1cc(F)cc(F)c1)c1cc(NC[C@H]2CCCC[C@@H]2O)nc2c(C3CC3)cnn12.CC(C)(C)OC(=O)N1CC[C@H](CN)[C@@H](O)C1.Clc1cc(Cl)n2ncc(C3CC3)c2n1.Fc1cc(F)cc(Nc2cc(Cl)nc3c(C4CC4)cnn23)c1.Nc1cc(F)cc(F)c1.O[C@H]1CNCC[C@@H]1CNc1cc(Nc2cc(F)cc(F)c2)n2ncc(C3CC3)c2n1
• InChI: InChI=1S/C27H33F2N5O3.C21H24F2N6O.C20H19ClF2N4O2.C15H11ClF2N4.C11H22N2O3.C9H7Cl2N3.C6H5F2N.CH4/c1-27(2,3)37-26(36)33(20-11-18(28)10-19(29)12-20)24-13-23(30-14-17-6-4-5-7-22(17)35)32-25-21(16-8-9-16)15-31-34(24)25;22-14-5-15(23)7-16(6-14)27-20-8-19(25-9-13-3-4-24-11-18(13)30)28-21-17(12-1-2-12)10-26-29(20)21;1-20(2,3)29-19(28)26(14-7-12(22)6-13(23)8-14)17-9-16(21)25-18-15(11-4-5-11)10-24-27(17)18;16-13-6-14(20-11-4-9(17)3-10(18)5-11)22-15(21-13)12(7-19-22)8-1-2-8;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;7-4-1-5(8)3-6(9)2-4;/h10-13,15-17,22,35H,4-9,14H2,1-3H3,(H,30,32);5-8,10,12-13,18,24,27,30H,1-4,9,11H2,(H,25,28);6-11H,4-5H2,1-3H3;3-8,20H,1-2H2;8-9,14H,4-7,12H2,1-3H3;3-5H,1-2H2;1-3H,9H2;1H4/t17-,22+;13-,18+;;;8-,9+;;;/m11..1.../s1
• InChIKey: WOINORFJFCWFRQ-SKENHUDJSA-N
• XLogP: 24.48
• 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	2273.17
LogP ≤ 5	24.48
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-(3,5-difluorophenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3,5-difluorophenyl)carbamate;5-chloro-3-cyclopropyl-N-(3,5-difluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;(3R,4R)-4-[[[3-cyclopropyl-7-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;5,7-dichloro-3-cyclopropylpyrazolo[1,5-a]pyrimidine;3,5-difluoroaniline;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-(3,5-difluorophenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3,5-difluorophenyl)carbamate;5-chloro-3-cyclopropyl-N-(3,5-difluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;(3R,4R)-4-[[[3-cyclopropyl-7-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;5,7-dichloro-3-cyclopropylpyrazolo[1,5-a]pyrimidine;3,5-difluoroaniline;methane (CID 165090196) 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-(3,5-difluorophenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3,5-difluorophenyl)carbamate;5-chloro-3-cyclopropyl-N-(3,5-difluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;(3R,4R)-4-[[[3-cyclopropyl-7-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;5,7-dichloro-3-cyclopropylpyrazolo[1,5-a]pyrimidine;3,5-difluoroaniline;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-(3,5-difluorophenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3,5-difluorophenyl)carbamate;5-chloro-3-cyclopropyl-N-(3,5-difluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;(3R,4R)-4-[[[3-cyclopropyl-7-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;5,7-dichloro-3-cyclopropylpyrazolo[1,5-a]pyrimidine;3,5-difluoroaniline;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-(3,5-difluorophenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3,5-difluorophenyl)carbamate;5-chloro-3-cyclopropyl-N-(3,5-difluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;(3R,4R)-4-[[[3-cyclopropyl-7-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;5,7-dichloro-3-cyclopropylpyrazolo[1,5-a]pyrimidine;3,5-difluoroaniline;methane is C.CC(C)(C)OC(=O)N(c1cc(F)cc(F)c1)c1cc(Cl)nc2c(C3CC3)cnn12.CC(C)(C)OC(=O)N(c1cc(F)cc(F)c1)c1cc(NC[C@H]2CCCC[C@@H]2O)nc2c(C3CC3)cnn12.CC(C)(C)OC(=O)N1CC[C@H](CN)[C@@H](O)C1.Clc1cc(Cl)n2ncc(C3CC3)c2n1.Fc1cc(F)cc(Nc2cc(Cl)nc3c(C4CC4)cnn23)c1.Nc1cc(F)cc(F)c1.O[C@H]1CNCC[C@@H]1CNc1cc(Nc2cc(F)cc(F)c2)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-(3,5-difluorophenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3,5-difluorophenyl)carbamate;5-chloro-3-cyclopropyl-N-(3,5-difluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;(3R,4R)-4-[[[3-cyclopropyl-7-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;5,7-dichloro-3-cyclopropylpyrazolo[1,5-a]pyrimidine;3,5-difluoroaniline;methane?

The InChIKey is WOINORFJFCWFRQ-SKENHUDJSA-N. The full InChI is InChI=1S/C27H33F2N5O3.C21H24F2N6O.C20H19ClF2N4O2.C15H11ClF2N4.C11H22N2O3.C9H7Cl2N3.C6H5F2N.CH4/c1-27(2,3)37-26(36)33(20-11-18(28)10-19(29)12-20)24-13-23(30-14-17-6-4-5-7-22(17)35)32-25-21(16-8-9-16)15-31-34(24)25;22-14-5-15(23)7-16(6-14)27-20-8-19(25-9-13-3-4-24-11-18(13)30)28-21-17(12-1-2-12)10-26-29(20)21;1-20(2,3)29-19(28)26(14-7-12(22)6-13(23)8-14)17-9-16(21)25-18-15(11-4-5-11)10-24-27(17)18;16-13-6-14(20-11-4-9(17)3-10(18)5-11)22-15(21-13)12(7-19-22)8-1-2-8;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;7-4-1-5(8)3-6(9)2-4;/h10-13,15-17,22,35H,4-9,14H2,1-3H3,(H,30,32);5-8,10,12-13,18,24,27,30H,1-4,9,11H2,(H,25,28);6-11H,4-5H2,1-3H3;3-8,20H,1-2H2;8-9,14H,4-7,12H2,1-3H3;3-5H,1-2H2;1-3H,9H2;1H4/t17-,22+;13-,18+;;;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-(3,5-difluorophenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3,5-difluorophenyl)carbamate;5-chloro-3-cyclopropyl-N-(3,5-difluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;(3R,4R)-4-[[[3-cyclopropyl-7-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;5,7-dichloro-3-cyclopropylpyrazolo[1,5-a]pyrimidine;3,5-difluoroaniline;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-(3,5-difluorophenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3,5-difluorophenyl)carbamate;5-chloro-3-cyclopropyl-N-(3,5-difluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;(3R,4R)-4-[[[3-cyclopropyl-7-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;5,7-dichloro-3-cyclopropylpyrazolo[1,5-a]pyrimidine;3,5-difluoroaniline;methane has a molecular weight of 2273.17 g/mol, XLogP of 24.48, 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-(3,5-difluorophenyl)carbamate;tert-butyl N-[3-cyclopropyl-5-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(3,5-difluorophenyl)carbamate;5-chloro-3-cyclopropyl-N-(3,5-difluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;(3R,4R)-4-[[[3-cyclopropyl-7-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol;5,7-dichloro-3-cyclopropylpyrazolo[1,5-a]pyrimidine;3,5-difluoroaniline;methane is sourced from PubChem (CID 165090196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).