tert-butyl 4-(6-amino-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-[6-[[5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]amino]-3-pyridinyl]piperazine-1-carboxylate;2-chloro-5-fluoro-4-iodopyridine;5-(2-chloro-5-fluoro-4-pyridinyl)-2-methyl-3-propan-2-ylindazole;5-(2-chloro-5-fluoro-4-pyridinyl)-2-methyl-3-prop-1-en-2-ylindazole;5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;2-methyl-3-prop-1-en-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

C123H139BCl3F5IN27O6 — CID 159171172

About tert-butyl 4-(6-amino-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-[6-[[5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]amino]-3-pyridinyl]piperazine-1-carboxylate;2-chloro-5-fluoro-4-iodopyridine;5-(2-chloro-5-fluoro-4-pyridinyl)-2-methyl-3-propan-2-ylindazole;5-(2-chloro-5-fluoro-4-pyridinyl)-2-methyl-3-prop-1-en-2-ylindazole;5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;2-methyl-3-prop-1-en-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

tert-butyl 4-(6-amino-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-[6-[[5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]amino]-3-pyridinyl]piperazine-1-carboxylate;2-chloro-5-fluoro-4-iodopyridine;5-(2-chloro-5-fluoro-4-pyridinyl)-2-methyl-3-propan-2-ylindazole;5-(2-chloro-5-fluoro-4-pyridinyl)-2-methyl-3-prop-1-en-2-ylindazole;5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;2-methyl-3-prop-1-en-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (PubChem CID 159171172) has the molecular formula C123H139BCl3F5IN27O6 and a molecular weight of 2430.71 g/mol. Its IUPAC name is tert-butyl 4-(6-amino-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-[6-[[5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]amino]-3-pyridinyl]piperazine-1-carboxylate;2-chloro-5-fluoro-4-iodopyridine;5-(2-chloro-5-fluoro-4-pyridinyl)-2-methyl-3-propan-2-ylindazole;5-(2-chloro-5-fluoro-4-pyridinyl)-2-methyl-3-prop-1-en-2-ylindazole;5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;2-methyl-3-prop-1-en-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.

Molecular Properties

• Compound Name: tert-butyl 4-(6-amino-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-[6-[[5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]amino]-3-pyridinyl]piperazine-1-carboxylate;2-chloro-5-fluoro-4-iodopyridine;5-(2-chloro-5-fluoro-4-pyridinyl)-2-methyl-3-propan-2-ylindazole;5-(2-chloro-5-fluoro-4-pyridinyl)-2-methyl-3-prop-1-en-2-ylindazole;5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;2-methyl-3-prop-1-en-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
• PubChem CID: 159171172
• Molecular Formula: C123H139BCl3F5IN27O6
• Molecular Weight: 2430.71 g/mol
• Exact Mass: 2427.95
• IUPAC Name: tert-butyl 4-(6-amino-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-[6-[[5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]amino]-3-pyridinyl]piperazine-1-carboxylate;2-chloro-5-fluoro-4-iodopyridine;5-(2-chloro-5-fluoro-4-pyridinyl)-2-methyl-3-propan-2-ylindazole;5-(2-chloro-5-fluoro-4-pyridinyl)-2-methyl-3-prop-1-en-2-ylindazole;5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;2-methyl-3-prop-1-en-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
• SMILES: C=C(C)c1c2cc(-c3cc(Cl)ncc3F)ccc2nn1C.C=C(C)c1c2cc(B3OC(C)(C)C(C)(C)O3)ccc2nn1C.CC(C)(C)OC(=O)N1CCN(c2ccc(N)nc2)CC1.CC(C)c1c2cc(-c3cc(Cl)ncc3F)ccc2nn1C.CC(C)c1c2cc(-c3cc(Nc4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cn4)ncc3F)ccc2nn1C.CC(C)c1c2cc(-c3cc(Nc4ccc(N5CCNCC5)cn4)ncc3F)ccc2nn1C.Fc1cnc(Cl)cc1I
• InChI: InChI=1S/C30H36FN7O2.C25H28FN7.C17H23BN2O2.C16H15ClFN3.C16H13ClFN3.C14H22N4O2.C5H2ClFIN/c1-19(2)28-23-15-20(7-9-25(23)35-36(28)6)22-16-27(33-18-24(22)31)34-26-10-8-21(17-32-26)37-11-13-38(14-12-37)29(39)40-30(3,4)5;1-16(2)25-20-12-17(4-6-22(20)31-32(25)3)19-13-24(29-15-21(19)26)30-23-7-5-18(14-28-23)33-10-8-27-9-11-33;1-11(2)15-13-10-12(8-9-14(13)19-20(15)7)18-21-16(3,4)17(5,6)22-18;2*1-9(2)16-12-6-10(4-5-14(12)20-21(16)3)11-7-15(17)19-8-13(11)18;1-14(2,3)20-13(19)18-8-6-17(7-9-18)11-4-5-12(15)16-10-11;6-5-1-4(8)3(7)2-9-5/h7-10,15-19H,11-14H2,1-6H3,(H,32,33,34);4-7,12-16,27H,8-11H2,1-3H3,(H,28,29,30);8-10H,1H2,2-7H3;4-9H,1-3H3;4-8H,1H2,2-3H3;4-5,10H,6-9H2,1-3H3,(H2,15,16);1-2H
• InChIKey: KLSATZVNESPEMS-UHFFFAOYSA-N
• XLogP: 26.66
• TPSA: 341.59 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 17
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2430.71
LogP ≤ 5	26.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(6-amino-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-[6-[[5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]amino]-3-pyridinyl]piperazine-1-carboxylate;2-chloro-5-fluoro-4-iodopyridine;5-(2-chloro-5-fluoro-4-pyridinyl)-2-methyl-3-propan-2-ylindazole;5-(2-chloro-5-fluoro-4-pyridinyl)-2-methyl-3-prop-1-en-2-ylindazole;5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;2-methyl-3-prop-1-en-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

The IUPAC name of tert-butyl 4-(6-amino-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-[6-[[5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]amino]-3-pyridinyl]piperazine-1-carboxylate;2-chloro-5-fluoro-4-iodopyridine;5-(2-chloro-5-fluoro-4-pyridinyl)-2-methyl-3-propan-2-ylindazole;5-(2-chloro-5-fluoro-4-pyridinyl)-2-methyl-3-prop-1-en-2-ylindazole;5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;2-methyl-3-prop-1-en-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (CID 159171172) is tert-butyl 4-(6-amino-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-[6-[[5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]amino]-3-pyridinyl]piperazine-1-carboxylate;2-chloro-5-fluoro-4-iodopyridine;5-(2-chloro-5-fluoro-4-pyridinyl)-2-methyl-3-propan-2-ylindazole;5-(2-chloro-5-fluoro-4-pyridinyl)-2-methyl-3-prop-1-en-2-ylindazole;5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;2-methyl-3-prop-1-en-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.

What is the SMILES notation for tert-butyl 4-(6-amino-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-[6-[[5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]amino]-3-pyridinyl]piperazine-1-carboxylate;2-chloro-5-fluoro-4-iodopyridine;5-(2-chloro-5-fluoro-4-pyridinyl)-2-methyl-3-propan-2-ylindazole;5-(2-chloro-5-fluoro-4-pyridinyl)-2-methyl-3-prop-1-en-2-ylindazole;5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;2-methyl-3-prop-1-en-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

The canonical SMILES for tert-butyl 4-(6-amino-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-[6-[[5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]amino]-3-pyridinyl]piperazine-1-carboxylate;2-chloro-5-fluoro-4-iodopyridine;5-(2-chloro-5-fluoro-4-pyridinyl)-2-methyl-3-propan-2-ylindazole;5-(2-chloro-5-fluoro-4-pyridinyl)-2-methyl-3-prop-1-en-2-ylindazole;5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;2-methyl-3-prop-1-en-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is C=C(C)c1c2cc(-c3cc(Cl)ncc3F)ccc2nn1C.C=C(C)c1c2cc(B3OC(C)(C)C(C)(C)O3)ccc2nn1C.CC(C)(C)OC(=O)N1CCN(c2ccc(N)nc2)CC1.CC(C)c1c2cc(-c3cc(Cl)ncc3F)ccc2nn1C.CC(C)c1c2cc(-c3cc(Nc4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cn4)ncc3F)ccc2nn1C.CC(C)c1c2cc(-c3cc(Nc4ccc(N5CCNCC5)cn4)ncc3F)ccc2nn1C.Fc1cnc(Cl)cc1I.

What is the InChIKey of tert-butyl 4-(6-amino-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-[6-[[5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]amino]-3-pyridinyl]piperazine-1-carboxylate;2-chloro-5-fluoro-4-iodopyridine;5-(2-chloro-5-fluoro-4-pyridinyl)-2-methyl-3-propan-2-ylindazole;5-(2-chloro-5-fluoro-4-pyridinyl)-2-methyl-3-prop-1-en-2-ylindazole;5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;2-methyl-3-prop-1-en-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

The InChIKey is KLSATZVNESPEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36FN7O2.C25H28FN7.C17H23BN2O2.C16H15ClFN3.C16H13ClFN3.C14H22N4O2.C5H2ClFIN/c1-19(2)28-23-15-20(7-9-25(23)35-36(28)6)22-16-27(33-18-24(22)31)34-26-10-8-21(17-32-26)37-11-13-38(14-12-37)29(39)40-30(3,4)5;1-16(2)25-20-12-17(4-6-22(20)31-32(25)3)19-13-24(29-15-21(19)26)30-23-7-5-18(14-28-23)33-10-8-27-9-11-33;1-11(2)15-13-10-12(8-9-14(13)19-20(15)7)18-21-16(3,4)17(5,6)22-18;2*1-9(2)16-12-6-10(4-5-14(12)20-21(16)3)11-7-15(17)19-8-13(11)18;1-14(2,3)20-13(19)18-8-6-17(7-9-18)11-4-5-12(15)16-10-11;6-5-1-4(8)3(7)2-9-5/h7-10,15-19H,11-14H2,1-6H3,(H,32,33,34);4-7,12-16,27H,8-11H2,1-3H3,(H,28,29,30);8-10H,1H2,2-7H3;4-9H,1-3H3;4-8H,1H2,2-3H3;4-5,10H,6-9H2,1-3H3,(H2,15,16);1-2H.

What are the key properties of tert-butyl 4-(6-amino-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-[6-[[5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]amino]-3-pyridinyl]piperazine-1-carboxylate;2-chloro-5-fluoro-4-iodopyridine;5-(2-chloro-5-fluoro-4-pyridinyl)-2-methyl-3-propan-2-ylindazole;5-(2-chloro-5-fluoro-4-pyridinyl)-2-methyl-3-prop-1-en-2-ylindazole;5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;2-methyl-3-prop-1-en-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?

tert-butyl 4-(6-amino-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-[6-[[5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]amino]-3-pyridinyl]piperazine-1-carboxylate;2-chloro-5-fluoro-4-iodopyridine;5-(2-chloro-5-fluoro-4-pyridinyl)-2-methyl-3-propan-2-ylindazole;5-(2-chloro-5-fluoro-4-pyridinyl)-2-methyl-3-prop-1-en-2-ylindazole;5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;2-methyl-3-prop-1-en-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole has a molecular weight of 2430.71 g/mol, XLogP of 26.66, 17 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-(6-amino-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-[6-[[5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)-2-pyridinyl]amino]-3-pyridinyl]piperazine-1-carboxylate;2-chloro-5-fluoro-4-iodopyridine;5-(2-chloro-5-fluoro-4-pyridinyl)-2-methyl-3-propan-2-ylindazole;5-(2-chloro-5-fluoro-4-pyridinyl)-2-methyl-3-prop-1-en-2-ylindazole;5-fluoro-4-(2-methyl-3-propan-2-ylindazol-5-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyridin-2-amine;2-methyl-3-prop-1-en-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is sourced from PubChem (CID 159171172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).