tert-butyl 2-(5-bromo-3-carbamoylindazol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(6-fluoro-3-pyridinyl)indazol-1-yl]acetate;2-[3-carbamoyl-5-(6-fluoro-3-pyridinyl)indazol-1-yl]acetic acid;1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(6-fluoro-3-pyridinyl)indazole-3-carboxamide;(2S,4R)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;deuteriomethane;fluoromethane;(6-fluoro-3-pyridinyl)boronic acid;hydrochloride

C104H98BBrCl3F9N20O15 — CID 160946254

IUPACtert-butyl 2-(5-bromo-3-carbamoylindazol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(6-fluoro-3-pyridinyl)indazol-1-yl]acetate;2-[3-carbamoyl-5-(6-fluoro-3-pyridinyl)indazol-1-yl]acetic acid;1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(6-fluoro-3-pyridinyl)indazole-3-carboxamide;(2S,4R)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;deuteriomethane;fluoromethane;(6-fluoro-3-pyridinyl)boronic acid;hydrochloride
SMILESCC(C)(C)OC(=O)Cn1nc(C(N)=O)c2cc(-c3ccc(F)nc3)ccc21.CC(C)(C)OC(=O)Cn1nc(C(N)=O)c2cc(Br)ccc21.CF.Cl.NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(-c3ccccc3Cl)c2F)c2ccc(-c3ccc(F)nc3)cc12.NC(=O)c1nn(CC(=O)O)c2ccc(-c3ccc(F)nc3)cc12.O=C(Nc1cccc(-c2ccccc2Cl)c1F)[C@@H]1C[C@@H](F)CN1.OB(O)c1ccc(F)nc1.[2H]C
InChIInChI=1S/C32H24ClF3N6O3.C19H19FN4O3.C17H15ClF2N2O.C15H11FN4O3.C14H16BrN3O3.C5H5BFNO2.CH3F.CH4.ClH/c33-23-6-2-1-4-20(23)21-5-3-7-24(29(21)36)39-32(45)26-13-19(34)15-41(26)28(43)16-42-25-10-8-17(18-9-11-27(35)38-14-18)12-22(25)30(40-42)31(37)44;1-19(2,3)27-16(25)10-24-14-6-4-11(12-5-7-15(20)22-9-12)8-13(14)17(23-24)18(21)26;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;16-12-4-2-9(6-18-12)8-1-3-11-10(5-8)14(15(17)23)19-20(11)7-13(21)22;1-14(2,3)21-11(19)7-18-10-5-4-8(15)6-9(10)12(17-18)13(16)20;7-5-2-1-4(3-8-5)6(9)10;1-2;;/h1-12,14,19,26H,13,15-16H2,(H2,37,44)(H,39,45);4-9H,10H2,1-3H3,(H2,21,26);1-7,10,15,21H,8-9H2,(H,22,23);1-6H,7H2,(H2,17,23)(H,21,22);4-6H,7H2,1-3H3,(H2,16,20);1-3,9-10H;1H3;1H4;1H/t19-,26+;;10-,15+;;;;;;/m1.1....../s1/i;;;;;;;1D;
InChIKeyWGXNALZWJCBRIQ-NUJIUUNESA-N
MW2237.12 g/mol
LogP16.04
Rot. Bonds22

About tert-butyl 2-(5-bromo-3-carbamoylindazol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(6-fluoro-3-pyridinyl)indazol-1-yl]acetate;2-[3-carbamoyl-5-(6-fluoro-3-pyridinyl)indazol-1-yl]acetic acid;1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(6-fluoro-3-pyridinyl)indazole-3-carboxamide;(2S,4R)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;deuteriomethane;fluoromethane;(6-fluoro-3-pyridinyl)boronic acid;hydrochloride

tert-butyl 2-(5-bromo-3-carbamoylindazol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(6-fluoro-3-pyridinyl)indazol-1-yl]acetate;2-[3-carbamoyl-5-(6-fluoro-3-pyridinyl)indazol-1-yl]acetic acid;1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(6-fluoro-3-pyridinyl)indazole-3-carboxamide;(2S,4R)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;deuteriomethane;fluoromethane;(6-fluoro-3-pyridinyl)boronic acid;hydrochloride (PubChem CID 160946254) has the molecular formula C104H98BBrCl3F9N20O15 and a molecular weight of 2237.12 g/mol. Its IUPAC name is tert-butyl 2-(5-bromo-3-carbamoylindazol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(6-fluoro-3-pyridinyl)indazol-1-yl]acetate;2-[3-carbamoyl-5-(6-fluoro-3-pyridinyl)indazol-1-yl]acetic acid;1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(6-fluoro-3-pyridinyl)indazole-3-carboxamide;(2S,4R)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;deuteriomethane;fluoromethane;(6-fluoro-3-pyridinyl)boronic acid;hydrochloride.

Molecular Properties

Compound Nametert-butyl 2-(5-bromo-3-carbamoylindazol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(6-fluoro-3-pyridinyl)indazol-1-yl]acetate;2-[3-carbamoyl-5-(6-fluoro-3-pyridinyl)indazol-1-yl]acetic acid;1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(6-fluoro-3-pyridinyl)indazole-3-carboxamide;(2S,4R)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;deuteriomethane;fluoromethane;(6-fluoro-3-pyridinyl)boronic acid;hydrochloride
PubChem CID160946254
Molecular FormulaC104H98BBrCl3F9N20O15
Molecular Weight2237.12 g/mol
Exact Mass2233.58
IUPAC Nametert-butyl 2-(5-bromo-3-carbamoylindazol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(6-fluoro-3-pyridinyl)indazol-1-yl]acetate;2-[3-carbamoyl-5-(6-fluoro-3-pyridinyl)indazol-1-yl]acetic acid;1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(6-fluoro-3-pyridinyl)indazole-3-carboxamide;(2S,4R)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;deuteriomethane;fluoromethane;(6-fluoro-3-pyridinyl)boronic acid;hydrochloride
SMILESCC(C)(C)OC(=O)Cn1nc(C(N)=O)c2cc(-c3ccc(F)nc3)ccc21.CC(C)(C)OC(=O)Cn1nc(C(N)=O)c2cc(Br)ccc21.CF.Cl.NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(-c3ccccc3Cl)c2F)c2ccc(-c3ccc(F)nc3)cc12.NC(=O)c1nn(CC(=O)O)c2ccc(-c3ccc(F)nc3)cc12.O=C(Nc1cccc(-c2ccccc2Cl)c1F)[C@@H]1C[C@@H](F)CN1.OB(O)c1ccc(F)nc1.[2H]C
InChIInChI=1S/C32H24ClF3N6O3.C19H19FN4O3.C17H15ClF2N2O.C15H11FN4O3.C14H16BrN3O3.C5H5BFNO2.CH3F.CH4.ClH/c33-23-6-2-1-4-20(23)21-5-3-7-24(29(21)36)39-32(45)26-13-19(34)15-41(26)28(43)16-42-25-10-8-17(18-9-11-27(35)38-14-18)12-22(25)30(40-42)31(37)44;1-19(2,3)27-16(25)10-24-14-6-4-11(12-5-7-15(20)22-9-12)8-13(14)17(23-24)18(21)26;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;16-12-4-2-9(6-18-12)8-1-3-11-10(5-8)14(15(17)23)19-20(11)7-13(21)22;1-14(2,3)21-11(19)7-18-10-5-4-8(15)6-9(10)12(17-18)13(16)20;7-5-2-1-4(3-8-5)6(9)10;1-2;;/h1-12,14,19,26H,13,15-16H2,(H2,37,44)(H,39,45);4-9H,10H2,1-3H3,(H2,21,26);1-7,10,15,21H,8-9H2,(H,22,23);1-6H,7H2,(H2,17,23)(H,21,22);4-6H,7H2,1-3H3,(H2,16,20);1-3,9-10H;1H3;1H4;1H/t19-,26+;;10-,15+;;;;;;/m1.1....../s1/i;;;;;;;1D;
InChIKeyWGXNALZWJCBRIQ-NUJIUUNESA-N
XLogP16.04
TPSA516.10 Ų
H-Bond Donors10
H-Bond Acceptors27
Rotatable Bonds22
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002237.12
LogP ≤ 516.04
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze tert-butyl 2-(5-bromo-3-carbamoylindazol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(6-fluoro-3-pyridinyl)indazol-1-yl]acetate;2-[3-carbamoyl-5-(6-fluoro-3-pyridinyl)indazol-1-yl]acetic acid;1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(6-fluoro-3-pyridinyl)indazole-3-carboxamide;(2S,4R)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;deuteriomethane;fluoromethane;(6-fluoro-3-pyridinyl)boronic acid;hydrochloride with MolForge

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Related Compounds

(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-one;tert-butyl 1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 158823421
2-[3-acetyl-5-(pyridazin-3-ylamino)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]acetic acid;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyridazin-3-ylamino)indol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;methane;pyridazin-3-amine;2,2,2-trifluoroacetaldehyde
CID 160270503
2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetic acid;2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyridin-3-ylamino)indazol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;methane;pyridin-3-amine;2,2,2-trifluoroacetaldehyde
CID 160573295
(4-aminophenyl)boronic acid;tert-butyl (3R)-3-[3-(4-aminophenyl)pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)pyrrolidine-1-carboxylate;tert-butyl (3R)-3-[3-[4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrazolo[4,3-c]pyridin-1-yl]pyrrolidine-1-carboxylate;prop-2-enoyl chloride;N-[4-[1-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide;3-(trifluoromethyl)benzoyl chloride
CID 161028030
2-[3-acetyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetic acid;2-[3-acetyl-5-(pyrimidin-5-ylamino)indazol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 2-(3-acetyl-5-bromoindazol-1-yl)acetate;tert-butyl 2-[3-acetyl-5-(pyrimidin-5-ylamino)indazol-1-yl]acetate;N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide;methane;pyrimidin-5-amine;2,2,2-trifluoroacetaldehyde
CID 161922643
2-(3-acetyl-5-bromoindol-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;2-[3-acetyl-5-(2-phenylethynyl)indol-1-yl]-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;tert-butyl 4-[[2-(3-carbamoylindazol-1-yl)acetyl]-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]amino]cyclohexane-1-carboxylate;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclohexylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-piperidin-3-ylamino]-2-oxoethyl]indazole-3-carboxamide
CID 157294352
2-[3-acetyl-5-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]acetic acid;(2S,4R)-1-[2-[3-acetyl-5-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]acetyl]-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;tert-butyl 2-[3-acetyl-5-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]acetate;tert-butyl 2-(3-acetyl-5-bromoindol-1-yl)acetate;2-[3-(2-chlorophenyl)-2-fluorophenyl]-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;hydrochloride
CID 157387625
tert-butyl 2-(5-bromo-3-carbamoylindazol-1-yl)acetate;tert-butyl 2-(3-carbamoyl-5-pyrimidin-5-ylindazol-1-yl)acetate;2-(3-carbamoyl-5-pyrimidin-5-ylindazol-1-yl)acetic acid;1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyrimidin-5-ylindazole-3-carboxamide;(2S,4R)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;deuteriomethane;hypofluorous acid;pyrimidin-5-ylboronic acid;hydrochloride
CID 157429147
CID 157734651
CID 157734651
CID 157736937
CID 157736937
CID 157805165
CID 157805165
CID 157869458
CID 157869458

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-(6-fluoro-3-pyridinyl)indazol-1-yl]acetate;2-[3-carbamoyl-5-(6-fluoro-3-pyridinyl)indazol-1-yl]acetic acid;1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(6-fluoro-3-pyridinyl)indazole-3-carboxamide;(2S,4R)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;deuteriomethane;fluoromethane;(6-fluoro-3-pyridinyl)boronic acid;hydrochloride?
The IUPAC name of tert-butyl 2-(5-bromo-3-carbamoylindazol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(6-fluoro-3-pyridinyl)indazol-1-yl]acetate;2-[3-carbamoyl-5-(6-fluoro-3-pyridinyl)indazol-1-yl]acetic acid;1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(6-fluoro-3-pyridinyl)indazole-3-carboxamide;(2S,4R)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;deuteriomethane;fluoromethane;(6-fluoro-3-pyridinyl)boronic acid;hydrochloride (CID 160946254) is tert-butyl 2-(5-bromo-3-carbamoylindazol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(6-fluoro-3-pyridinyl)indazol-1-yl]acetate;2-[3-carbamoyl-5-(6-fluoro-3-pyridinyl)indazol-1-yl]acetic acid;1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(6-fluoro-3-pyridinyl)indazole-3-carboxamide;(2S,4R)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;deuteriomethane;fluoromethane;(6-fluoro-3-pyridinyl)boronic acid;hydrochloride.
What is the SMILES notation for tert-butyl 2-(5-bromo-3-carbamoylindazol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(6-fluoro-3-pyridinyl)indazol-1-yl]acetate;2-[3-carbamoyl-5-(6-fluoro-3-pyridinyl)indazol-1-yl]acetic acid;1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(6-fluoro-3-pyridinyl)indazole-3-carboxamide;(2S,4R)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;deuteriomethane;fluoromethane;(6-fluoro-3-pyridinyl)boronic acid;hydrochloride?
The canonical SMILES for tert-butyl 2-(5-bromo-3-carbamoylindazol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(6-fluoro-3-pyridinyl)indazol-1-yl]acetate;2-[3-carbamoyl-5-(6-fluoro-3-pyridinyl)indazol-1-yl]acetic acid;1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(6-fluoro-3-pyridinyl)indazole-3-carboxamide;(2S,4R)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;deuteriomethane;fluoromethane;(6-fluoro-3-pyridinyl)boronic acid;hydrochloride is CC(C)(C)OC(=O)Cn1nc(C(N)=O)c2cc(-c3ccc(F)nc3)ccc21.CC(C)(C)OC(=O)Cn1nc(C(N)=O)c2cc(Br)ccc21.CF.Cl.NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(-c3ccccc3Cl)c2F)c2ccc(-c3ccc(F)nc3)cc12.NC(=O)c1nn(CC(=O)O)c2ccc(-c3ccc(F)nc3)cc12.O=C(Nc1cccc(-c2ccccc2Cl)c1F)[C@@H]1C[C@@H](F)CN1.OB(O)c1ccc(F)nc1.[2H]C.
What is the InChIKey of tert-butyl 2-(5-bromo-3-carbamoylindazol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(6-fluoro-3-pyridinyl)indazol-1-yl]acetate;2-[3-carbamoyl-5-(6-fluoro-3-pyridinyl)indazol-1-yl]acetic acid;1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(6-fluoro-3-pyridinyl)indazole-3-carboxamide;(2S,4R)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;deuteriomethane;fluoromethane;(6-fluoro-3-pyridinyl)boronic acid;hydrochloride?
The InChIKey is WGXNALZWJCBRIQ-NUJIUUNESA-N. The full InChI is InChI=1S/C32H24ClF3N6O3.C19H19FN4O3.C17H15ClF2N2O.C15H11FN4O3.C14H16BrN3O3.C5H5BFNO2.CH3F.CH4.ClH/c33-23-6-2-1-4-20(23)21-5-3-7-24(29(21)36)39-32(45)26-13-19(34)15-41(26)28(43)16-42-25-10-8-17(18-9-11-27(35)38-14-18)12-22(25)30(40-42)31(37)44;1-19(2,3)27-16(25)10-24-14-6-4-11(12-5-7-15(20)22-9-12)8-13(14)17(23-24)18(21)26;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;16-12-4-2-9(6-18-12)8-1-3-11-10(5-8)14(15(17)23)19-20(11)7-13(21)22;1-14(2,3)21-11(19)7-18-10-5-4-8(15)6-9(10)12(17-18)13(16)20;7-5-2-1-4(3-8-5)6(9)10;1-2;;/h1-12,14,19,26H,13,15-16H2,(H2,37,44)(H,39,45);4-9H,10H2,1-3H3,(H2,21,26);1-7,10,15,21H,8-9H2,(H,22,23);1-6H,7H2,(H2,17,23)(H,21,22);4-6H,7H2,1-3H3,(H2,16,20);1-3,9-10H;1H3;1H4;1H/t19-,26+;;10-,15+;;;;;;/m1.1....../s1/i;;;;;;;1D;.
What are the key properties of tert-butyl 2-(5-bromo-3-carbamoylindazol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(6-fluoro-3-pyridinyl)indazol-1-yl]acetate;2-[3-carbamoyl-5-(6-fluoro-3-pyridinyl)indazol-1-yl]acetic acid;1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(6-fluoro-3-pyridinyl)indazole-3-carboxamide;(2S,4R)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;deuteriomethane;fluoromethane;(6-fluoro-3-pyridinyl)boronic acid;hydrochloride?
tert-butyl 2-(5-bromo-3-carbamoylindazol-1-yl)acetate;tert-butyl 2-[3-carbamoyl-5-(6-fluoro-3-pyridinyl)indazol-1-yl]acetate;2-[3-carbamoyl-5-(6-fluoro-3-pyridinyl)indazol-1-yl]acetic acid;1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(6-fluoro-3-pyridinyl)indazole-3-carboxamide;(2S,4R)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;deuteriomethane;fluoromethane;(6-fluoro-3-pyridinyl)boronic acid;hydrochloride has a molecular weight of 2237.12 g/mol, XLogP of 16.04, 22 rotatable bonds, 10 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-(6-fluoro-3-pyridinyl)indazol-1-yl]acetate;2-[3-carbamoyl-5-(6-fluoro-3-pyridinyl)indazol-1-yl]acetic acid;1-[2-[(2S,4R)-2-[[3-(2-chlorophenyl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(6-fluoro-3-pyridinyl)indazole-3-carboxamide;(2S,4R)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide;deuteriomethane;fluoromethane;(6-fluoro-3-pyridinyl)boronic acid;hydrochloride is sourced from PubChem (CID 160946254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).