6-bromo-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid;tert-butyl N-[6-bromo-2-[2-[[4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutoxy]-2-phenylmethoxy-2-(trifluoromethyl)butanoyl]amino]acetyl]-5-methyl-3-pyridinyl]carbamate;4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutoxy]-2-phenylmethoxy-2-(trifluoromethyl)butanehydrazide

C69H103Br2F6N7O15Si2 — CID 163876701

IUPAC6-bromo-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid;tert-butyl N-[6-bromo-2-[2-[[4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutoxy]-2-phenylmethoxy-2-(trifluoromethyl)butanoyl]amino]acetyl]-5-methyl-3-pyridinyl]carbamate;4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutoxy]-2-phenylmethoxy-2-(trifluoromethyl)butanehydrazide
SMILESC[C@@H](CCOCCC(OCc1ccccc1)(C(=O)NN)C(F)(F)F)O[Si](C)(C)C(C)(C)C.Cc1cc(NC(=O)OC(C)(C)C)c(C(=O)CNC(=O)C(CCOCC[C@H](C)O[Si](C)(C)C(C)(C)C)(OCc2ccccc2)C(F)(F)F)nc1Br.Cc1cc(NC(=O)OC(C)(C)C)c(C(=O)O)nc1Br
InChIInChI=1S/C35H51BrF3N3O7Si.C22H37F3N2O4Si.C12H15BrN2O4/c1-23-20-26(41-31(45)48-32(3,4)5)28(42-29(23)36)27(43)21-40-30(44)34(35(37,38)39,47-22-25-14-12-11-13-15-25)17-19-46-18-16-24(2)49-50(9,10)33(6,7)8;1-17(31-32(5,6)20(2,3)4)12-14-29-15-13-21(19(28)27-26,22(23,24)25)30-16-18-10-8-7-9-11-18;1-6-5-7(8(10(16)17)15-9(6)13)14-11(18)19-12(2,3)4/h11-15,20,24H,16-19,21-22H2,1-10H3,(H,40,44)(H,41,45);7-11,17H,12-16,26H2,1-6H3,(H,27,28);5H,1-4H3,(H,14,18)(H,16,17)/t24-,34?;17-,21?;/m00./s1
InChIKeyPPMYUZKRXYGKDH-QBLNXUGNSA-N
MW1600.58 g/mol
LogP16.42
Rot. Bonds30

About 6-bromo-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid;tert-butyl N-[6-bromo-2-[2-[[4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutoxy]-2-phenylmethoxy-2-(trifluoromethyl)butanoyl]amino]acetyl]-5-methyl-3-pyridinyl]carbamate;4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutoxy]-2-phenylmethoxy-2-(trifluoromethyl)butanehydrazide

6-bromo-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid;tert-butyl N-[6-bromo-2-[2-[[4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutoxy]-2-phenylmethoxy-2-(trifluoromethyl)butanoyl]amino]acetyl]-5-methyl-3-pyridinyl]carbamate;4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutoxy]-2-phenylmethoxy-2-(trifluoromethyl)butanehydrazide (PubChem CID 163876701) has the molecular formula C69H103Br2F6N7O15Si2 and a molecular weight of 1600.58 g/mol. Its IUPAC name is 6-bromo-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid;tert-butyl N-[6-bromo-2-[2-[[4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutoxy]-2-phenylmethoxy-2-(trifluoromethyl)butanoyl]amino]acetyl]-5-methyl-3-pyridinyl]carbamate;4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutoxy]-2-phenylmethoxy-2-(trifluoromethyl)butanehydrazide.

Molecular Properties

Compound Name6-bromo-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid;tert-butyl N-[6-bromo-2-[2-[[4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutoxy]-2-phenylmethoxy-2-(trifluoromethyl)butanoyl]amino]acetyl]-5-methyl-3-pyridinyl]carbamate;4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutoxy]-2-phenylmethoxy-2-(trifluoromethyl)butanehydrazide
PubChem CID163876701
Molecular FormulaC69H103Br2F6N7O15Si2
Molecular Weight1600.58 g/mol
Exact Mass1597.53
IUPAC Name6-bromo-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid;tert-butyl N-[6-bromo-2-[2-[[4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutoxy]-2-phenylmethoxy-2-(trifluoromethyl)butanoyl]amino]acetyl]-5-methyl-3-pyridinyl]carbamate;4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutoxy]-2-phenylmethoxy-2-(trifluoromethyl)butanehydrazide
SMILESC[C@@H](CCOCCC(OCc1ccccc1)(C(=O)NN)C(F)(F)F)O[Si](C)(C)C(C)(C)C.Cc1cc(NC(=O)OC(C)(C)C)c(C(=O)CNC(=O)C(CCOCC[C@H](C)O[Si](C)(C)C(C)(C)C)(OCc2ccccc2)C(F)(F)F)nc1Br.Cc1cc(NC(=O)OC(C)(C)C)c(C(=O)O)nc1Br
InChIInChI=1S/C35H51BrF3N3O7Si.C22H37F3N2O4Si.C12H15BrN2O4/c1-23-20-26(41-31(45)48-32(3,4)5)28(42-29(23)36)27(43)21-40-30(44)34(35(37,38)39,47-22-25-14-12-11-13-15-25)17-19-46-18-16-24(2)49-50(9,10)33(6,7)8;1-17(31-32(5,6)20(2,3)4)12-14-29-15-13-21(19(28)27-26,22(23,24)25)30-16-18-10-8-7-9-11-18;1-6-5-7(8(10(16)17)15-9(6)13)14-11(18)19-12(2,3)4/h11-15,20,24H,16-19,21-22H2,1-10H3,(H,40,44)(H,41,45);7-11,17H,12-16,26H2,1-6H3,(H,27,28);5H,1-4H3,(H,14,18)(H,16,17)/t24-,34?;17-,21?;/m00./s1
InChIKeyPPMYUZKRXYGKDH-QBLNXUGNSA-N
XLogP16.42
TPSA296.41 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds30
Heavy Atoms101
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001600.58
LogP ≤ 516.42
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 6-bromo-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid;tert-butyl N-[6-bromo-2-[2-[[4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutoxy]-2-phenylmethoxy-2-(trifluoromethyl)butanoyl]amino]acetyl]-5-methyl-3-pyridinyl]carbamate;4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutoxy]-2-phenylmethoxy-2-(trifluoromethyl)butanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[6-bromo-2-[5-[4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutoxy]-1,1,1-trifluoro-2-phenylmethoxybutan-2-yl]-1,3,4-oxadiazol-2-yl]-5-methyl-3-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 163625140
tert-butyl N-[6-bromo-2-[[[(2R)-6-(1,3-dioxol-2-yl)-2-phenylmethoxy-2-(trifluoromethyl)hexanoyl]amino]carbamoyl]-5-(trifluoromethyl)-3-pyridinyl]carbamate
CID 172558848
tert-butyl N-[2-[[[(2R,8S)-8-hydroxy-2-phenylmethoxy-2-(trifluoromethyl)nonanoyl]amino]carbamoyl]-6-prop-2-enoxy-5-(trifluoromethyl)-3-pyridinyl]carbamate
CID 169126160
tert-butyl N-[6-bromo-2-[5-[(2R,8R)-8-[tert-butyl(diphenyl)silyl]oxy-1,1,1-trifluoro-2-phenylmethoxynonan-2-yl]-1,3,4-oxadiazol-2-yl]-5-(trifluoromethyl)-3-pyridinyl]carbamate
CID 169126151
tert-butyl N-[[2-phenylmethoxy-2-(trifluoromethyl)hex-5-enoyl]amino]carbamate
CID 162772804
(2R)-2-phenylmethoxy-2-(trifluoromethyl)hex-5-enehydrazide
CID 162772534
tert-butyl N-[[(2R)-5-hydroxy-2-phenylmethoxy-2-(trifluoromethyl)pentanoyl]amino]carbamate
CID 162772727
N-[2-(5-methyl-6-pent-4-enoxy-2-pyridinyl)-2-oxoethyl]-2-phenylmethoxy-2-(trifluoromethyl)pent-4-enamide
CID 163434714
benzyl N-[(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate
CID 140747567
tert-butyl N-[6-but-3-enoxy-2-[(2-phenylmethoxyhex-5-enoylamino)carbamoyl]-5-(trifluoromethyl)-3-pyridinyl]carbamate
CID 169126054
methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(trifluoromethyl)-6-[5-[1,1,1-trifluoro-3-(3-oxopropoxy)-2-phenylmethoxypropan-2-yl]-1,3,4-oxadiazol-2-yl]pyridine-2-carboxylate
CID 169136931
3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybenzoic acid
CID 54328163

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid;tert-butyl N-[6-bromo-2-[2-[[4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutoxy]-2-phenylmethoxy-2-(trifluoromethyl)butanoyl]amino]acetyl]-5-methyl-3-pyridinyl]carbamate;4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutoxy]-2-phenylmethoxy-2-(trifluoromethyl)butanehydrazide?
The IUPAC name of 6-bromo-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid;tert-butyl N-[6-bromo-2-[2-[[4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutoxy]-2-phenylmethoxy-2-(trifluoromethyl)butanoyl]amino]acetyl]-5-methyl-3-pyridinyl]carbamate;4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutoxy]-2-phenylmethoxy-2-(trifluoromethyl)butanehydrazide (CID 163876701) is 6-bromo-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid;tert-butyl N-[6-bromo-2-[2-[[4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutoxy]-2-phenylmethoxy-2-(trifluoromethyl)butanoyl]amino]acetyl]-5-methyl-3-pyridinyl]carbamate;4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutoxy]-2-phenylmethoxy-2-(trifluoromethyl)butanehydrazide.
What is the SMILES notation for 6-bromo-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid;tert-butyl N-[6-bromo-2-[2-[[4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutoxy]-2-phenylmethoxy-2-(trifluoromethyl)butanoyl]amino]acetyl]-5-methyl-3-pyridinyl]carbamate;4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutoxy]-2-phenylmethoxy-2-(trifluoromethyl)butanehydrazide?
The canonical SMILES for 6-bromo-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid;tert-butyl N-[6-bromo-2-[2-[[4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutoxy]-2-phenylmethoxy-2-(trifluoromethyl)butanoyl]amino]acetyl]-5-methyl-3-pyridinyl]carbamate;4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutoxy]-2-phenylmethoxy-2-(trifluoromethyl)butanehydrazide is C[C@@H](CCOCCC(OCc1ccccc1)(C(=O)NN)C(F)(F)F)O[Si](C)(C)C(C)(C)C.Cc1cc(NC(=O)OC(C)(C)C)c(C(=O)CNC(=O)C(CCOCC[C@H](C)O[Si](C)(C)C(C)(C)C)(OCc2ccccc2)C(F)(F)F)nc1Br.Cc1cc(NC(=O)OC(C)(C)C)c(C(=O)O)nc1Br.
What is the InChIKey of 6-bromo-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid;tert-butyl N-[6-bromo-2-[2-[[4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutoxy]-2-phenylmethoxy-2-(trifluoromethyl)butanoyl]amino]acetyl]-5-methyl-3-pyridinyl]carbamate;4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutoxy]-2-phenylmethoxy-2-(trifluoromethyl)butanehydrazide?
The InChIKey is PPMYUZKRXYGKDH-QBLNXUGNSA-N. The full InChI is InChI=1S/C35H51BrF3N3O7Si.C22H37F3N2O4Si.C12H15BrN2O4/c1-23-20-26(41-31(45)48-32(3,4)5)28(42-29(23)36)27(43)21-40-30(44)34(35(37,38)39,47-22-25-14-12-11-13-15-25)17-19-46-18-16-24(2)49-50(9,10)33(6,7)8;1-17(31-32(5,6)20(2,3)4)12-14-29-15-13-21(19(28)27-26,22(23,24)25)30-16-18-10-8-7-9-11-18;1-6-5-7(8(10(16)17)15-9(6)13)14-11(18)19-12(2,3)4/h11-15,20,24H,16-19,21-22H2,1-10H3,(H,40,44)(H,41,45);7-11,17H,12-16,26H2,1-6H3,(H,27,28);5H,1-4H3,(H,14,18)(H,16,17)/t24-,34?;17-,21?;/m00./s1.
What are the key properties of 6-bromo-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid;tert-butyl N-[6-bromo-2-[2-[[4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutoxy]-2-phenylmethoxy-2-(trifluoromethyl)butanoyl]amino]acetyl]-5-methyl-3-pyridinyl]carbamate;4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutoxy]-2-phenylmethoxy-2-(trifluoromethyl)butanehydrazide?
6-bromo-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid;tert-butyl N-[6-bromo-2-[2-[[4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutoxy]-2-phenylmethoxy-2-(trifluoromethyl)butanoyl]amino]acetyl]-5-methyl-3-pyridinyl]carbamate;4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutoxy]-2-phenylmethoxy-2-(trifluoromethyl)butanehydrazide has a molecular weight of 1600.58 g/mol, XLogP of 16.42, 30 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid;tert-butyl N-[6-bromo-2-[2-[[4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutoxy]-2-phenylmethoxy-2-(trifluoromethyl)butanoyl]amino]acetyl]-5-methyl-3-pyridinyl]carbamate;4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxybutoxy]-2-phenylmethoxy-2-(trifluoromethyl)butanehydrazide is sourced from PubChem (CID 163876701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).