(4-amino-6-methyl-2-pyridinyl)methanol;2-bromo-6-methylpyridin-4-amine;(2R)-N-[1-(2-chloro-5-fluoropyrimidin-4-yl)-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;(2R)-N-[1-[5-fluoro-2-[[2-(hydroxymethyl)-6-methyl-4-pyridinyl]amino]pyrimidin-4-yl]-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;methyl 4-amino-6-methylpyridine-2-carboxylate

C72H86BrClF2N18O8 — CID 164987387

IUPAC(4-amino-6-methyl-2-pyridinyl)methanol;2-bromo-6-methylpyridin-4-amine;(2R)-N-[1-(2-chloro-5-fluoropyrimidin-4-yl)-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;(2R)-N-[1-[5-fluoro-2-[[2-(hydroxymethyl)-6-methyl-4-pyridinyl]amino]pyrimidin-4-yl]-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;methyl 4-amino-6-methylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(N)cc(C)n1.COC[C@H](C(=O)Nc1cccc2c1CC=C2c1nc(Cl)ncc1F)N1CCN(C)CC1.COC[C@H](C(=O)Nc1cccc2c1CC=C2c1nc(Nc2cc(C)nc(CO)c2)ncc1F)N1CCN(C)CC1.Cc1cc(N)cc(Br)n1.Cc1cc(N)cc(CO)n1
InChIInChI=1S/C29H34FN7O3.C22H25ClFN5O2.C8H10N2O2.C7H10N2O.C6H7BrN2/c1-18-13-19(14-20(16-38)32-18)33-29-31-15-24(30)27(35-29)23-8-7-22-21(23)5-4-6-25(22)34-28(39)26(17-40-3)37-11-9-36(2)10-12-37;1-28-8-10-29(11-9-28)19(13-31-2)21(30)26-18-5-3-4-14-15(18)6-7-16(14)20-17(24)12-25-22(23)27-20;1-5-3-6(9)4-7(10-5)8(11)12-2;1-5-2-6(8)3-7(4-10)9-5;1-4-2-5(8)3-6(7)9-4/h4-6,8,13-15,26,38H,7,9-12,16-17H2,1-3H3,(H,34,39)(H,31,32,33,35);3-5,7,12,19H,6,8-11,13H2,1-2H3,(H,26,30);3-4H,1-2H3,(H2,9,10);2-3,10H,4H2,1H3,(H2,8,9);2-3H,1H3,(H2,8,9)/t26-;19-;;;/m11.../s1
InChIKeyGIVGLZHLMOFDCH-GDNYKHRUSA-N
MW1484.95 g/mol
LogP8.16
Rot. Bonds17

About (4-amino-6-methyl-2-pyridinyl)methanol;2-bromo-6-methylpyridin-4-amine;(2R)-N-[1-(2-chloro-5-fluoropyrimidin-4-yl)-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;(2R)-N-[1-[5-fluoro-2-[[2-(hydroxymethyl)-6-methyl-4-pyridinyl]amino]pyrimidin-4-yl]-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;methyl 4-amino-6-methylpyridine-2-carboxylate

(4-amino-6-methyl-2-pyridinyl)methanol;2-bromo-6-methylpyridin-4-amine;(2R)-N-[1-(2-chloro-5-fluoropyrimidin-4-yl)-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;(2R)-N-[1-[5-fluoro-2-[[2-(hydroxymethyl)-6-methyl-4-pyridinyl]amino]pyrimidin-4-yl]-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;methyl 4-amino-6-methylpyridine-2-carboxylate (PubChem CID 164987387) has the molecular formula C72H86BrClF2N18O8 and a molecular weight of 1484.95 g/mol. Its IUPAC name is (4-amino-6-methyl-2-pyridinyl)methanol;2-bromo-6-methylpyridin-4-amine;(2R)-N-[1-(2-chloro-5-fluoropyrimidin-4-yl)-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;(2R)-N-[1-[5-fluoro-2-[[2-(hydroxymethyl)-6-methyl-4-pyridinyl]amino]pyrimidin-4-yl]-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;methyl 4-amino-6-methylpyridine-2-carboxylate.

Molecular Properties

Compound Name(4-amino-6-methyl-2-pyridinyl)methanol;2-bromo-6-methylpyridin-4-amine;(2R)-N-[1-(2-chloro-5-fluoropyrimidin-4-yl)-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;(2R)-N-[1-[5-fluoro-2-[[2-(hydroxymethyl)-6-methyl-4-pyridinyl]amino]pyrimidin-4-yl]-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;methyl 4-amino-6-methylpyridine-2-carboxylate
PubChem CID164987387
Molecular FormulaC72H86BrClF2N18O8
Molecular Weight1484.95 g/mol
Exact Mass1482.57
IUPAC Name(4-amino-6-methyl-2-pyridinyl)methanol;2-bromo-6-methylpyridin-4-amine;(2R)-N-[1-(2-chloro-5-fluoropyrimidin-4-yl)-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;(2R)-N-[1-[5-fluoro-2-[[2-(hydroxymethyl)-6-methyl-4-pyridinyl]amino]pyrimidin-4-yl]-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;methyl 4-amino-6-methylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(N)cc(C)n1.COC[C@H](C(=O)Nc1cccc2c1CC=C2c1nc(Cl)ncc1F)N1CCN(C)CC1.COC[C@H](C(=O)Nc1cccc2c1CC=C2c1nc(Nc2cc(C)nc(CO)c2)ncc1F)N1CCN(C)CC1.Cc1cc(N)cc(Br)n1.Cc1cc(N)cc(CO)n1
InChIInChI=1S/C29H34FN7O3.C22H25ClFN5O2.C8H10N2O2.C7H10N2O.C6H7BrN2/c1-18-13-19(14-20(16-38)32-18)33-29-31-15-24(30)27(35-29)23-8-7-22-21(23)5-4-6-25(22)34-28(39)26(17-40-3)37-11-9-36(2)10-12-37;1-28-8-10-29(11-9-28)19(13-31-2)21(30)26-18-5-3-4-14-15(18)6-7-16(14)20-17(24)12-25-22(23)27-20;1-5-3-6(9)4-7(10-5)8(11)12-2;1-5-2-6(8)3-7(4-10)9-5;1-4-2-5(8)3-6(7)9-4/h4-6,8,13-15,26,38H,7,9-12,16-17H2,1-3H3,(H,34,39)(H,31,32,33,35);3-5,7,12,19H,6,8-11,13H2,1-2H3,(H,26,30);3-4H,1-2H3,(H2,9,10);2-3,10H,4H2,1H3,(H2,8,9);2-3H,1H3,(H2,8,9)/t26-;19-;;;/m11.../s1
InChIKeyGIVGLZHLMOFDCH-GDNYKHRUSA-N
XLogP8.16
TPSA349.59 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds17
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001484.95
LogP ≤ 58.16
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze (4-amino-6-methyl-2-pyridinyl)methanol;2-bromo-6-methylpyridin-4-amine;(2R)-N-[1-(2-chloro-5-fluoropyrimidin-4-yl)-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;(2R)-N-[1-[5-fluoro-2-[[2-(hydroxymethyl)-6-methyl-4-pyridinyl]amino]pyrimidin-4-yl]-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;methyl 4-amino-6-methylpyridine-2-carboxylate with MolForge

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Related Compounds

(2R)-N-[1-[5-fluoro-2-[[2-(hydroxymethyl)-6-methyl-4-pyridinyl]amino]pyrimidin-4-yl]-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide
CID 164987388
N-[3-[5-fluoro-2-[[2-(hydroxymethyl)-6-methyl-4-pyridinyl]amino]pyrimidin-4-yl]-1H-indol-7-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide
CID 164817651
(2R)-N-[1-[2-[[6-(2-hydroxyethyl)-5-methoxy-3-pyridinyl]amino]-5-methylpyrimidin-4-yl]-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide
CID 165051419
tert-butyl 6-aminoindazole-1-carboxylate;tert-butyl 6-[[5-fluoro-4-[4-[[(2R)-3-methoxy-2-(4-methylpiperazin-1-yl)propanoyl]amino]-3H-inden-1-yl]pyrimidin-2-yl]amino]indazole-1-carboxylate;(2R)-N-[1-(2-chloro-5-fluoropyrimidin-4-yl)-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;(2R)-N-[1-[5-fluoro-2-(1H-indazol-6-ylmethyl)pyrimidin-4-yl]-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide
CID 165058486
(2R)-N-[3-[2-[[2-(aminomethyl)-4-pyridinyl]amino]-5-fluoropyrimidin-4-yl]-1H-indol-7-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide
CID 155228610
methyl 5-[[5-fluoro-4-[7-[[(2R)-3-methoxy-2-(4-methylpiperazin-1-yl)propanoyl]amino]-1H-indol-3-yl]pyrimidin-2-yl]amino]-3-methylpyridine-2-carboxylate
CID 155228652
methyl 3-[4-[[5-fluoro-4-[7-[[(2R)-3-methoxy-2-(4-methylpiperazin-1-yl)propanoyl]amino]-1H-indol-3-yl]pyrimidin-2-yl]amino]-2-pyridinyl]propanoate
CID 155228725
N-[3-[5-fluoro-2-[(6-imidazol-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide
CID 164817664
N-[3-[5-fluoro-2-[[6-(1,3-oxazol-5-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-1H-indol-7-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide
CID 164817632
(2S)-N-[3-[5-fluoro-2-(2-fluoro-3-methylsulfonylanilino)pyrimidin-4-yl]-1H-indol-7-yl]-3-methoxy-2-(4-methyl-1,4-diazepan-1-yl)propanamide
CID 135240546
methyl 5-[[5-fluoro-4-[7-[[(2R)-1-hydroxy-3-methoxy-2-(4-methylpiperazin-1-yl)propyl]amino]-1H-indol-3-yl]pyrimidin-2-yl]amino]pyridine-3-carboxylate
CID 167162321
(2R)-N-[3-[5-fluoro-2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]-1H-indol-7-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;4-iodooxane;4-nitro-1-(oxan-4-yl)pyrazole;4-nitro-1H-pyrazole;1-(oxan-4-yl)pyrazol-4-amine
CID 165104253

Frequently Asked Questions

What is the IUPAC name of (4-amino-6-methyl-2-pyridinyl)methanol;2-bromo-6-methylpyridin-4-amine;(2R)-N-[1-(2-chloro-5-fluoropyrimidin-4-yl)-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;(2R)-N-[1-[5-fluoro-2-[[2-(hydroxymethyl)-6-methyl-4-pyridinyl]amino]pyrimidin-4-yl]-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;methyl 4-amino-6-methylpyridine-2-carboxylate?
The IUPAC name of (4-amino-6-methyl-2-pyridinyl)methanol;2-bromo-6-methylpyridin-4-amine;(2R)-N-[1-(2-chloro-5-fluoropyrimidin-4-yl)-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;(2R)-N-[1-[5-fluoro-2-[[2-(hydroxymethyl)-6-methyl-4-pyridinyl]amino]pyrimidin-4-yl]-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;methyl 4-amino-6-methylpyridine-2-carboxylate (CID 164987387) is (4-amino-6-methyl-2-pyridinyl)methanol;2-bromo-6-methylpyridin-4-amine;(2R)-N-[1-(2-chloro-5-fluoropyrimidin-4-yl)-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;(2R)-N-[1-[5-fluoro-2-[[2-(hydroxymethyl)-6-methyl-4-pyridinyl]amino]pyrimidin-4-yl]-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;methyl 4-amino-6-methylpyridine-2-carboxylate.
What is the SMILES notation for (4-amino-6-methyl-2-pyridinyl)methanol;2-bromo-6-methylpyridin-4-amine;(2R)-N-[1-(2-chloro-5-fluoropyrimidin-4-yl)-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;(2R)-N-[1-[5-fluoro-2-[[2-(hydroxymethyl)-6-methyl-4-pyridinyl]amino]pyrimidin-4-yl]-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;methyl 4-amino-6-methylpyridine-2-carboxylate?
The canonical SMILES for (4-amino-6-methyl-2-pyridinyl)methanol;2-bromo-6-methylpyridin-4-amine;(2R)-N-[1-(2-chloro-5-fluoropyrimidin-4-yl)-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;(2R)-N-[1-[5-fluoro-2-[[2-(hydroxymethyl)-6-methyl-4-pyridinyl]amino]pyrimidin-4-yl]-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;methyl 4-amino-6-methylpyridine-2-carboxylate is COC(=O)c1cc(N)cc(C)n1.COC[C@H](C(=O)Nc1cccc2c1CC=C2c1nc(Cl)ncc1F)N1CCN(C)CC1.COC[C@H](C(=O)Nc1cccc2c1CC=C2c1nc(Nc2cc(C)nc(CO)c2)ncc1F)N1CCN(C)CC1.Cc1cc(N)cc(Br)n1.Cc1cc(N)cc(CO)n1.
What is the InChIKey of (4-amino-6-methyl-2-pyridinyl)methanol;2-bromo-6-methylpyridin-4-amine;(2R)-N-[1-(2-chloro-5-fluoropyrimidin-4-yl)-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;(2R)-N-[1-[5-fluoro-2-[[2-(hydroxymethyl)-6-methyl-4-pyridinyl]amino]pyrimidin-4-yl]-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;methyl 4-amino-6-methylpyridine-2-carboxylate?
The InChIKey is GIVGLZHLMOFDCH-GDNYKHRUSA-N. The full InChI is InChI=1S/C29H34FN7O3.C22H25ClFN5O2.C8H10N2O2.C7H10N2O.C6H7BrN2/c1-18-13-19(14-20(16-38)32-18)33-29-31-15-24(30)27(35-29)23-8-7-22-21(23)5-4-6-25(22)34-28(39)26(17-40-3)37-11-9-36(2)10-12-37;1-28-8-10-29(11-9-28)19(13-31-2)21(30)26-18-5-3-4-14-15(18)6-7-16(14)20-17(24)12-25-22(23)27-20;1-5-3-6(9)4-7(10-5)8(11)12-2;1-5-2-6(8)3-7(4-10)9-5;1-4-2-5(8)3-6(7)9-4/h4-6,8,13-15,26,38H,7,9-12,16-17H2,1-3H3,(H,34,39)(H,31,32,33,35);3-5,7,12,19H,6,8-11,13H2,1-2H3,(H,26,30);3-4H,1-2H3,(H2,9,10);2-3,10H,4H2,1H3,(H2,8,9);2-3H,1H3,(H2,8,9)/t26-;19-;;;/m11.../s1.
What are the key properties of (4-amino-6-methyl-2-pyridinyl)methanol;2-bromo-6-methylpyridin-4-amine;(2R)-N-[1-(2-chloro-5-fluoropyrimidin-4-yl)-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;(2R)-N-[1-[5-fluoro-2-[[2-(hydroxymethyl)-6-methyl-4-pyridinyl]amino]pyrimidin-4-yl]-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;methyl 4-amino-6-methylpyridine-2-carboxylate?
(4-amino-6-methyl-2-pyridinyl)methanol;2-bromo-6-methylpyridin-4-amine;(2R)-N-[1-(2-chloro-5-fluoropyrimidin-4-yl)-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;(2R)-N-[1-[5-fluoro-2-[[2-(hydroxymethyl)-6-methyl-4-pyridinyl]amino]pyrimidin-4-yl]-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;methyl 4-amino-6-methylpyridine-2-carboxylate has a molecular weight of 1484.95 g/mol, XLogP of 8.16, 17 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-6-methyl-2-pyridinyl)methanol;2-bromo-6-methylpyridin-4-amine;(2R)-N-[1-(2-chloro-5-fluoropyrimidin-4-yl)-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;(2R)-N-[1-[5-fluoro-2-[[2-(hydroxymethyl)-6-methyl-4-pyridinyl]amino]pyrimidin-4-yl]-3H-inden-4-yl]-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide;methyl 4-amino-6-methylpyridine-2-carboxylate is sourced from PubChem (CID 164987387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).