tert-butyl 2-(5-bromo-3-carbamoylindazol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(1H-pyrazol-4-yl)indazol-1-yl]acetate;2-[3-carbamoyl-5-(1H-pyrazol-4-yl)indazol-1-yl]acetic acid;1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(1H-pyrazol-4-yl)indazole-3-carboxamide;(2S,4R)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride

C100H101BBrCl3F4N24O15 — CID 158350477

About tert-butyl 2-(5-bromo-3-carbamoylindazol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(1H-pyrazol-4-yl)indazol-1-yl]acetate;2-[3-carbamoyl-5-(1H-pyrazol-4-yl)indazol-1-yl]acetic acid;1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(1H-pyrazol-4-yl)indazole-3-carboxamide;(2S,4R)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride

tert-butyl 2-(5-bromo-3-carbamoylindazol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(1H-pyrazol-4-yl)indazol-1-yl]acetate;2-[3-carbamoyl-5-(1H-pyrazol-4-yl)indazol-1-yl]acetic acid;1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(1H-pyrazol-4-yl)indazole-3-carboxamide;(2S,4R)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride (PubChem CID 158350477) has the molecular formula C100H101BBrCl3F4N24O15 and a molecular weight of 2152.13 g/mol. Its IUPAC name is tert-butyl 2-(5-bromo-3-carbamoylindazol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(1H-pyrazol-4-yl)indazol-1-yl]acetate;2-[3-carbamoyl-5-(1H-pyrazol-4-yl)indazol-1-yl]acetic acid;1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(1H-pyrazol-4-yl)indazole-3-carboxamide;(2S,4R)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl 2-(5-bromo-3-carbamoylindazol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(1H-pyrazol-4-yl)indazol-1-yl]acetate;2-[3-carbamoyl-5-(1H-pyrazol-4-yl)indazol-1-yl]acetic acid;1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(1H-pyrazol-4-yl)indazole-3-carboxamide;(2S,4R)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride
• PubChem CID: 158350477
• Molecular Formula: C100H101BBrCl3F4N24O15
• Molecular Weight: 2152.13 g/mol
• Exact Mass: 2148.62
• IUPAC Name: tert-butyl 2-(5-bromo-3-carbamoylindazol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(1H-pyrazol-4-yl)indazol-1-yl]acetate;2-[3-carbamoyl-5-(1H-pyrazol-4-yl)indazol-1-yl]acetic acid;1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(1H-pyrazol-4-yl)indazole-3-carboxamide;(2S,4R)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride
• SMILES: CC(C)(C)OC(=O)Cn1nc(C(N)=O)c2cc(-c3cn[nH]c3)ccc21.CC(C)(C)OC(=O)Cn1nc(C(N)=O)c2cc(Br)ccc21.CC1(C)OB(c2cn[nH]c2)OC1(C)C.Cl.NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(-c3ccccc3Cl)c2F)c2ccc(-c3cn[nH]c3)cc12.NC(=O)c1nn(CC(=O)O)c2ccc(-c3cn[nH]c3)cc12.O=C(Nc1cccc(-c2ccccc2Cl)c1F)[C@@H]1C[C@@H](F)CN1
• InChI: InChI=1S/C30H24ClF2N7O3.C17H15ClF2N2O.C17H19N5O3.C14H16BrN3O3.C13H11N5O3.C9H15BN2O2.ClH/c31-22-6-2-1-4-19(22)20-5-3-7-23(27(20)33)37-30(43)25-11-18(32)14-39(25)26(41)15-40-24-9-8-16(17-12-35-36-13-17)10-21(24)28(38-40)29(34)42;18-13-6-2-1-4-11(13)12-5-3-7-14(16(12)20)22-17(23)15-8-10(19)9-21-15;1-17(2,3)25-14(23)9-22-13-5-4-10(11-7-19-20-8-11)6-12(13)15(21-22)16(18)24;1-14(2,3)21-11(19)7-18-10-5-4-8(15)6-9(10)12(17-18)13(16)20;14-13(21)12-9-3-7(8-4-15-16-5-8)1-2-10(9)18(17-12)6-11(19)20;1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7;/h1-10,12-13,18,25H,11,14-15H2,(H2,34,42)(H,35,36)(H,37,43);1-7,10,15,21H,8-9H2,(H,22,23);4-8H,9H2,1-3H3,(H2,18,24)(H,19,20);4-6H,7H2,1-3H3,(H2,16,20);1-5H,6H2,(H2,14,21)(H,15,16)(H,19,20);5-6H,1-4H3,(H,11,12);1H/t18-,25+;10-,15+;;;;;/m11...../s1
• InChIKey: HXTOCACUILGEKP-SRDNVWGHSA-N
• XLogP: 14.19
• TPSA: 557.26 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 27
• Rotatable Bonds: 22
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2152.13
LogP ≤ 5	14.19
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(5-bromo-3-carbamoylindazol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(1H-pyrazol-4-yl)indazol-1-yl]acetate;2-[3-carbamoyl-5-(1H-pyrazol-4-yl)indazol-1-yl]acetic acid;1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(1H-pyrazol-4-yl)indazole-3-carboxamide;(2S,4R)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride?

The IUPAC name of tert-butyl 2-(5-bromo-3-carbamoylindazol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(1H-pyrazol-4-yl)indazol-1-yl]acetate;2-[3-carbamoyl-5-(1H-pyrazol-4-yl)indazol-1-yl]acetic acid;1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(1H-pyrazol-4-yl)indazole-3-carboxamide;(2S,4R)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride (CID 158350477) is tert-butyl 2-(5-bromo-3-carbamoylindazol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(1H-pyrazol-4-yl)indazol-1-yl]acetate;2-[3-carbamoyl-5-(1H-pyrazol-4-yl)indazol-1-yl]acetic acid;1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(1H-pyrazol-4-yl)indazole-3-carboxamide;(2S,4R)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride.

What is the SMILES notation for tert-butyl 2-(5-bromo-3-carbamoylindazol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(1H-pyrazol-4-yl)indazol-1-yl]acetate;2-[3-carbamoyl-5-(1H-pyrazol-4-yl)indazol-1-yl]acetic acid;1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(1H-pyrazol-4-yl)indazole-3-carboxamide;(2S,4R)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride?

The canonical SMILES for tert-butyl 2-(5-bromo-3-carbamoylindazol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(1H-pyrazol-4-yl)indazol-1-yl]acetate;2-[3-carbamoyl-5-(1H-pyrazol-4-yl)indazol-1-yl]acetic acid;1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(1H-pyrazol-4-yl)indazole-3-carboxamide;(2S,4R)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride is CC(C)(C)OC(=O)Cn1nc(C(N)=O)c2cc(-c3cn[nH]c3)ccc21.CC(C)(C)OC(=O)Cn1nc(C(N)=O)c2cc(Br)ccc21.CC1(C)OB(c2cn[nH]c2)OC1(C)C.Cl.NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(-c3ccccc3Cl)c2F)c2ccc(-c3cn[nH]c3)cc12.NC(=O)c1nn(CC(=O)O)c2ccc(-c3cn[nH]c3)cc12.O=C(Nc1cccc(-c2ccccc2Cl)c1F)[C@@H]1C[C@@H](F)CN1.

What is the InChIKey of tert-butyl 2-(5-bromo-3-carbamoylindazol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(1H-pyrazol-4-yl)indazol-1-yl]acetate;2-[3-carbamoyl-5-(1H-pyrazol-4-yl)indazol-1-yl]acetic acid;1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(1H-pyrazol-4-yl)indazole-3-carboxamide;(2S,4R)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride?

The InChIKey is HXTOCACUILGEKP-SRDNVWGHSA-N. The full InChI is InChI=1S/C30H24ClF2N7O3.C17H15ClF2N2O.C17H19N5O3.C14H16BrN3O3.C13H11N5O3.C9H15BN2O2.ClH/c31-22-6-2-1-4-19(22)20-5-3-7-23(27(20)33)37-30(43)25-11-18(32)14-39(25)26(41)15-40-24-9-8-16(17-12-35-36-13-17)10-21(24)28(38-40)29(34)42;18-13-6-2-1-4-11(13)12-5-3-7-14(16(12)20)22-17(23)15-8-10(19)9-21-15;1-17(2,3)25-14(23)9-22-13-5-4-10(11-7-19-20-8-11)6-12(13)15(21-22)16(18)24;1-14(2,3)21-11(19)7-18-10-5-4-8(15)6-9(10)12(17-18)13(16)20;14-13(21)12-9-3-7(8-4-15-16-5-8)1-2-10(9)18(17-12)6-11(19)20;1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7;/h1-10,12-13,18,25H,11,14-15H2,(H2,34,42)(H,35,36)(H,37,43);1-7,10,15,21H,8-9H2,(H,22,23);4-8H,9H2,1-3H3,(H2,18,24)(H,19,20);4-6H,7H2,1-3H3,(H2,16,20);1-5H,6H2,(H2,14,21)(H,15,16)(H,19,20);5-6H,1-4H3,(H,11,12);1H/t18-,25+;10-,15+;;;;;/m11...../s1.

What are the key properties of tert-butyl 2-(5-bromo-3-carbamoylindazol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(1H-pyrazol-4-yl)indazol-1-yl]acetate;2-[3-carbamoyl-5-(1H-pyrazol-4-yl)indazol-1-yl]acetic acid;1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(1H-pyrazol-4-yl)indazole-3-carboxamide;(2S,4R)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride?

tert-butyl 2-(5-bromo-3-carbamoylindazol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(1H-pyrazol-4-yl)indazol-1-yl]acetate;2-[3-carbamoyl-5-(1H-pyrazol-4-yl)indazol-1-yl]acetic acid;1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(1H-pyrazol-4-yl)indazole-3-carboxamide;(2S,4R)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride has a molecular weight of 2152.13 g/mol, XLogP of 14.19, 22 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-(5-bromo-3-carbamoylindazol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(1H-pyrazol-4-yl)indazol-1-yl]acetate;2-[3-carbamoyl-5-(1H-pyrazol-4-yl)indazol-1-yl]acetic acid;1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(1H-pyrazol-4-yl)indazole-3-carboxamide;(2S,4R)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride is sourced from PubChem (CID 158350477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).