(2S)-2-aminopropan-1-ol;(3R)-N-[3-[2-chloro-6-[[(2S)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(2S)-2-[(6-chloro-4-iodo-2-pyridinyl)amino]propan-1-ol;2,6-dichloro-4-iodopyridine;(3R)-3-ethyl-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-[1-(oxan-2-yl)pyrazol-4-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-(1H-pyrazol-4-yl)-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;sulfane

C127H179B2Cl4F3I2N24O15S3 — CID 158482401

IUPAC(2S)-2-aminopropan-1-ol;(3R)-N-[3-[2-chloro-6-[[(2S)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(2S)-2-[(6-chloro-4-iodo-2-pyridinyl)amino]propan-1-ol;2,6-dichloro-4-iodopyridine;(3R)-3-ethyl-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-[1-(oxan-2-yl)pyrazol-4-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-(1H-pyrazol-4-yl)-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;sulfane
SMILESCC1(C)OB(c2cnn(C3CCCCO3)c2)OC1(C)C.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(Cl)nc(N[C@@H](C)CO)c3)c2)C1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(N[C@@H](C)CO)nc(-c4cn[nH]c4)c3)c2)C1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(N[C@@H](C)CO)nc(-c4cnn(C5CCCCO5)c4)c3)c2)C1.C[C@@H](CO)Nc1cc(I)cc(Cl)n1.C[C@H](N)CO.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cc(I)cc(Cl)n1.S.S.S
InChIInChI=1S/C30H40N6O3.C25H32N6O2.C22H29ClN4O2.C20H28BF3N2O3.C14H23BN2O3.C8H10ClIN2O.C5H2Cl2IN.C3H9NO.3H2S/c1-4-22-10-11-35(17-22)30(38)33-25-9-8-20(2)26(15-25)23-13-27(34-28(14-23)32-21(3)19-37)24-16-31-36(18-24)29-7-5-6-12-39-29;1-4-18-7-8-31(14-18)25(33)29-21-6-5-16(2)22(11-21)19-9-23(20-12-26-27-13-20)30-24(10-19)28-17(3)15-32;1-4-16-7-8-27(12-16)22(29)25-18-6-5-14(2)19(11-18)17-9-20(23)26-21(10-17)24-15(3)13-28;1-13-6-7-15(10-16(13)21-28-18(2,3)19(4,5)29-21)25-17(27)26-9-8-14(12-26)11-20(22,23)24;1-13(2)14(3,4)20-15(19-13)11-9-16-17(10-11)12-7-5-6-8-18-12;1-5(4-13)11-8-3-6(10)2-7(9)12-8;6-4-1-3(8)2-5(7)9-4;1-3(4)2-5;;;/h8-9,13-16,18,21-22,29,37H,4-7,10-12,17,19H2,1-3H3,(H,32,34)(H,33,38);5-6,9-13,17-18,32H,4,7-8,14-15H2,1-3H3,(H,26,27)(H,28,30)(H,29,33);5-6,9-11,15-16,28H,4,7-8,12-13H2,1-3H3,(H,24,26)(H,25,29);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);9-10,12H,5-8H2,1-4H3;2-3,5,13H,4H2,1H3,(H,11,12);1-2H;3,5H,2,4H2,1H3;3*1H2/t21-,22+,29?;17-,18+;15-,16+;14-;;5-;;3-;;;/m0000.0.0.../s1
InChIKeyHHRFXFAGLDPRCM-PYBGHIKQSA-N
MW2852.42 g/mol
LogP25.72
Rot. Bonds30

About (2S)-2-aminopropan-1-ol;(3R)-N-[3-[2-chloro-6-[[(2S)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(2S)-2-[(6-chloro-4-iodo-2-pyridinyl)amino]propan-1-ol;2,6-dichloro-4-iodopyridine;(3R)-3-ethyl-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-[1-(oxan-2-yl)pyrazol-4-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-(1H-pyrazol-4-yl)-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;sulfane

(2S)-2-aminopropan-1-ol;(3R)-N-[3-[2-chloro-6-[[(2S)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(2S)-2-[(6-chloro-4-iodo-2-pyridinyl)amino]propan-1-ol;2,6-dichloro-4-iodopyridine;(3R)-3-ethyl-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-[1-(oxan-2-yl)pyrazol-4-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-(1H-pyrazol-4-yl)-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;sulfane (PubChem CID 158482401) has the molecular formula C127H179B2Cl4F3I2N24O15S3 and a molecular weight of 2852.42 g/mol. Its IUPAC name is (2S)-2-aminopropan-1-ol;(3R)-N-[3-[2-chloro-6-[[(2S)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(2S)-2-[(6-chloro-4-iodo-2-pyridinyl)amino]propan-1-ol;2,6-dichloro-4-iodopyridine;(3R)-3-ethyl-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-[1-(oxan-2-yl)pyrazol-4-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-(1H-pyrazol-4-yl)-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;sulfane.

Molecular Properties

Compound Name(2S)-2-aminopropan-1-ol;(3R)-N-[3-[2-chloro-6-[[(2S)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(2S)-2-[(6-chloro-4-iodo-2-pyridinyl)amino]propan-1-ol;2,6-dichloro-4-iodopyridine;(3R)-3-ethyl-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-[1-(oxan-2-yl)pyrazol-4-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-(1H-pyrazol-4-yl)-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;sulfane
PubChem CID158482401
Molecular FormulaC127H179B2Cl4F3I2N24O15S3
Molecular Weight2852.42 g/mol
Exact Mass2849.01
IUPAC Name(2S)-2-aminopropan-1-ol;(3R)-N-[3-[2-chloro-6-[[(2S)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(2S)-2-[(6-chloro-4-iodo-2-pyridinyl)amino]propan-1-ol;2,6-dichloro-4-iodopyridine;(3R)-3-ethyl-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-[1-(oxan-2-yl)pyrazol-4-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-(1H-pyrazol-4-yl)-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;sulfane
SMILESCC1(C)OB(c2cnn(C3CCCCO3)c2)OC1(C)C.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(Cl)nc(N[C@@H](C)CO)c3)c2)C1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(N[C@@H](C)CO)nc(-c4cn[nH]c4)c3)c2)C1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(N[C@@H](C)CO)nc(-c4cnn(C5CCCCO5)c4)c3)c2)C1.C[C@@H](CO)Nc1cc(I)cc(Cl)n1.C[C@H](N)CO.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cc(I)cc(Cl)n1.S.S.S
InChIInChI=1S/C30H40N6O3.C25H32N6O2.C22H29ClN4O2.C20H28BF3N2O3.C14H23BN2O3.C8H10ClIN2O.C5H2Cl2IN.C3H9NO.3H2S/c1-4-22-10-11-35(17-22)30(38)33-25-9-8-20(2)26(15-25)23-13-27(34-28(14-23)32-21(3)19-37)24-16-31-36(18-24)29-7-5-6-12-39-29;1-4-18-7-8-31(14-18)25(33)29-21-6-5-16(2)22(11-21)19-9-23(20-12-26-27-13-20)30-24(10-19)28-17(3)15-32;1-4-16-7-8-27(12-16)22(29)25-18-6-5-14(2)19(11-18)17-9-20(23)26-21(10-17)24-15(3)13-28;1-13-6-7-15(10-16(13)21-28-18(2,3)19(4,5)29-21)25-17(27)26-9-8-14(12-26)11-20(22,23)24;1-13(2)14(3,4)20-15(19-13)11-9-16-17(10-11)12-7-5-6-8-18-12;1-5(4-13)11-8-3-6(10)2-7(9)12-8;6-4-1-3(8)2-5(7)9-4;1-3(4)2-5;;;/h8-9,13-16,18,21-22,29,37H,4-7,10-12,17,19H2,1-3H3,(H,32,34)(H,33,38);5-6,9-13,17-18,32H,4,7-8,14-15H2,1-3H3,(H,26,27)(H,28,30)(H,29,33);5-6,9-11,15-16,28H,4,7-8,12-13H2,1-3H3,(H,24,26)(H,25,29);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);9-10,12H,5-8H2,1-4H3;2-3,5,13H,4H2,1H3,(H,11,12);1-2H;3,5H,2,4H2,1H3;3*1H2/t21-,22+,29?;17-,18+;15-,16+;14-;;5-;;3-;;;/m0000.0.0.../s1
InChIKeyHHRFXFAGLDPRCM-PYBGHIKQSA-N
XLogP25.72
TPSA488.80 Ų
H-Bond Donors15
H-Bond Acceptors30
Rotatable Bonds30
Heavy Atoms180
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002852.42
LogP ≤ 525.72
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1030

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'}

Analyze (2S)-2-aminopropan-1-ol;(3R)-N-[3-[2-chloro-6-[[(2S)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(2S)-2-[(6-chloro-4-iodo-2-pyridinyl)amino]propan-1-ol;2,6-dichloro-4-iodopyridine;(3R)-3-ethyl-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-[1-(oxan-2-yl)pyrazol-4-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-(1H-pyrazol-4-yl)-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;sulfane with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminopropan-1-ol;(3R)-N-[3-[2-chloro-6-[[(2S)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(2S)-2-[(6-chloro-4-iodo-2-pyridinyl)amino]propan-1-ol;2,6-dichloro-4-iodopyridine;(3R)-3-ethyl-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-[1-(oxan-2-yl)pyrazol-4-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-(1H-pyrazol-4-yl)-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;sulfane?
The IUPAC name of (2S)-2-aminopropan-1-ol;(3R)-N-[3-[2-chloro-6-[[(2S)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(2S)-2-[(6-chloro-4-iodo-2-pyridinyl)amino]propan-1-ol;2,6-dichloro-4-iodopyridine;(3R)-3-ethyl-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-[1-(oxan-2-yl)pyrazol-4-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-(1H-pyrazol-4-yl)-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;sulfane (CID 158482401) is (2S)-2-aminopropan-1-ol;(3R)-N-[3-[2-chloro-6-[[(2S)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(2S)-2-[(6-chloro-4-iodo-2-pyridinyl)amino]propan-1-ol;2,6-dichloro-4-iodopyridine;(3R)-3-ethyl-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-[1-(oxan-2-yl)pyrazol-4-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-(1H-pyrazol-4-yl)-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;sulfane.
What is the SMILES notation for (2S)-2-aminopropan-1-ol;(3R)-N-[3-[2-chloro-6-[[(2S)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(2S)-2-[(6-chloro-4-iodo-2-pyridinyl)amino]propan-1-ol;2,6-dichloro-4-iodopyridine;(3R)-3-ethyl-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-[1-(oxan-2-yl)pyrazol-4-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-(1H-pyrazol-4-yl)-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;sulfane?
The canonical SMILES for (2S)-2-aminopropan-1-ol;(3R)-N-[3-[2-chloro-6-[[(2S)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(2S)-2-[(6-chloro-4-iodo-2-pyridinyl)amino]propan-1-ol;2,6-dichloro-4-iodopyridine;(3R)-3-ethyl-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-[1-(oxan-2-yl)pyrazol-4-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-(1H-pyrazol-4-yl)-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;sulfane is CC1(C)OB(c2cnn(C3CCCCO3)c2)OC1(C)C.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(Cl)nc(N[C@@H](C)CO)c3)c2)C1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(N[C@@H](C)CO)nc(-c4cn[nH]c4)c3)c2)C1.CC[C@@H]1CCN(C(=O)Nc2ccc(C)c(-c3cc(N[C@@H](C)CO)nc(-c4cnn(C5CCCCO5)c4)c3)c2)C1.C[C@@H](CO)Nc1cc(I)cc(Cl)n1.C[C@H](N)CO.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cc(I)cc(Cl)n1.S.S.S.
What is the InChIKey of (2S)-2-aminopropan-1-ol;(3R)-N-[3-[2-chloro-6-[[(2S)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(2S)-2-[(6-chloro-4-iodo-2-pyridinyl)amino]propan-1-ol;2,6-dichloro-4-iodopyridine;(3R)-3-ethyl-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-[1-(oxan-2-yl)pyrazol-4-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-(1H-pyrazol-4-yl)-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;sulfane?
The InChIKey is HHRFXFAGLDPRCM-PYBGHIKQSA-N. The full InChI is InChI=1S/C30H40N6O3.C25H32N6O2.C22H29ClN4O2.C20H28BF3N2O3.C14H23BN2O3.C8H10ClIN2O.C5H2Cl2IN.C3H9NO.3H2S/c1-4-22-10-11-35(17-22)30(38)33-25-9-8-20(2)26(15-25)23-13-27(34-28(14-23)32-21(3)19-37)24-16-31-36(18-24)29-7-5-6-12-39-29;1-4-18-7-8-31(14-18)25(33)29-21-6-5-16(2)22(11-21)19-9-23(20-12-26-27-13-20)30-24(10-19)28-17(3)15-32;1-4-16-7-8-27(12-16)22(29)25-18-6-5-14(2)19(11-18)17-9-20(23)26-21(10-17)24-15(3)13-28;1-13-6-7-15(10-16(13)21-28-18(2,3)19(4,5)29-21)25-17(27)26-9-8-14(12-26)11-20(22,23)24;1-13(2)14(3,4)20-15(19-13)11-9-16-17(10-11)12-7-5-6-8-18-12;1-5(4-13)11-8-3-6(10)2-7(9)12-8;6-4-1-3(8)2-5(7)9-4;1-3(4)2-5;;;/h8-9,13-16,18,21-22,29,37H,4-7,10-12,17,19H2,1-3H3,(H,32,34)(H,33,38);5-6,9-13,17-18,32H,4,7-8,14-15H2,1-3H3,(H,26,27)(H,28,30)(H,29,33);5-6,9-11,15-16,28H,4,7-8,12-13H2,1-3H3,(H,24,26)(H,25,29);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);9-10,12H,5-8H2,1-4H3;2-3,5,13H,4H2,1H3,(H,11,12);1-2H;3,5H,2,4H2,1H3;3*1H2/t21-,22+,29?;17-,18+;15-,16+;14-;;5-;;3-;;;/m0000.0.0.../s1.
What are the key properties of (2S)-2-aminopropan-1-ol;(3R)-N-[3-[2-chloro-6-[[(2S)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(2S)-2-[(6-chloro-4-iodo-2-pyridinyl)amino]propan-1-ol;2,6-dichloro-4-iodopyridine;(3R)-3-ethyl-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-[1-(oxan-2-yl)pyrazol-4-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-(1H-pyrazol-4-yl)-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;sulfane?
(2S)-2-aminopropan-1-ol;(3R)-N-[3-[2-chloro-6-[[(2S)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(2S)-2-[(6-chloro-4-iodo-2-pyridinyl)amino]propan-1-ol;2,6-dichloro-4-iodopyridine;(3R)-3-ethyl-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-[1-(oxan-2-yl)pyrazol-4-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-(1H-pyrazol-4-yl)-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;sulfane has a molecular weight of 2852.42 g/mol, XLogP of 25.72, 30 rotatable bonds, 15 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminopropan-1-ol;(3R)-N-[3-[2-chloro-6-[[(2S)-1-hydroxypropan-2-yl]amino]-4-pyridinyl]-4-methylphenyl]-3-ethylpyrrolidine-1-carboxamide;(2S)-2-[(6-chloro-4-iodo-2-pyridinyl)amino]propan-1-ol;2,6-dichloro-4-iodopyridine;(3R)-3-ethyl-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-[1-(oxan-2-yl)pyrazol-4-yl]-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3R)-3-ethyl-N-[3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-(1H-pyrazol-4-yl)-4-pyridinyl]-4-methylphenyl]pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;sulfane is sourced from PubChem (CID 158482401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).