tert-butyl 4-[[6-fluoro-5-[2-methyl-7-(oxan-2-yl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-pyridinyl]methyl]piperazine-1-carboxylate;chloromethane;4-chloro-2-methyl-7-(oxan-2-yl)pyrrolo[2,3-d]pyrimidine;[2-fluoro-5-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]-3-pyridinyl]boronic acid;N-(6-methoxy-3-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-3-(2-methyl-7H-purin-6-yl)pyridin-2-amine;N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-(piperazin-1-ylmethyl)pyridin-2-amine;6-methylpyridin-3-amine

C106H135BCl2F2N32O10 — CID 159695090

IUPACtert-butyl 4-[[6-fluoro-5-[2-methyl-7-(oxan-2-yl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-pyridinyl]methyl]piperazine-1-carboxylate;chloromethane;4-chloro-2-methyl-7-(oxan-2-yl)pyrrolo[2,3-d]pyrimidine;[2-fluoro-5-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]-3-pyridinyl]boronic acid;N-(6-methoxy-3-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-3-(2-methyl-7H-purin-6-yl)pyridin-2-amine;N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-(piperazin-1-ylmethyl)pyridin-2-amine;6-methylpyridin-3-amine
SMILESCC(C)(C)OC(=O)N1CCN(Cc2cnc(F)c(B(O)O)c2)CC1.CCl.COc1ccc(Nc2ncc(CN3CCN(C)CC3)cc2-c2nc(C)nc3nc[nH]c23)cn1.COc1ccc(Nc2ncc(CN3CCNCC3)cc2-c2nc(C)nc3nc[nH]c23)cn1.Cc1ccc(N)cn1.Cc1nc(-c2cc(CN3CCN(C(=O)OC(C)(C)C)CC3)cnc2F)c2ccn(C3CCCCO3)c2n1.Cc1nc(Cl)c2ccn(C3CCCCO3)c2n1
InChIInChI=1S/C27H35FN6O3.C23H27N9O.C22H25N9O.C15H23BFN3O4.C12H14ClN3O.C6H8N2.CH3Cl/c1-18-30-23(20-8-9-34(25(20)31-18)22-7-5-6-14-36-22)21-15-19(16-29-24(21)28)17-32-10-12-33(13-11-32)26(35)37-27(2,3)4;1-15-28-20(21-23(29-15)27-14-26-21)18-10-16(13-32-8-6-31(2)7-9-32)11-25-22(18)30-17-4-5-19(33-3)24-12-17;1-14-28-19(20-22(29-14)27-13-26-20)17-9-15(12-31-7-5-23-6-8-31)10-25-21(17)30-16-3-4-18(32-2)24-11-16;1-15(2,3)24-14(21)20-6-4-19(5-7-20)10-11-8-12(16(22)23)13(17)18-9-11;1-8-14-11(13)9-5-6-16(12(9)15-8)10-4-2-3-7-17-10;1-5-2-3-6(7)4-8-5;1-2/h8-9,15-16,22H,5-7,10-14,17H2,1-4H3;4-5,10-12,14H,6-9,13H2,1-3H3,(H,25,30)(H,26,27,28,29);3-4,9-11,13,23H,5-8,12H2,1-2H3,(H,25,30)(H,26,27,28,29);8-9,22-23H,4-7,10H2,1-3H3;5-6,10H,2-4,7H2,1H3;2-4H,7H2,1H3;1H3
InChIKeyMWXDULIEOLGPCZ-UHFFFAOYSA-N
MW2137.17 g/mol
LogP14.46
Rot. Bonds20

About tert-butyl 4-[[6-fluoro-5-[2-methyl-7-(oxan-2-yl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-pyridinyl]methyl]piperazine-1-carboxylate;chloromethane;4-chloro-2-methyl-7-(oxan-2-yl)pyrrolo[2,3-d]pyrimidine;[2-fluoro-5-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]-3-pyridinyl]boronic acid;N-(6-methoxy-3-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-3-(2-methyl-7H-purin-6-yl)pyridin-2-amine;N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-(piperazin-1-ylmethyl)pyridin-2-amine;6-methylpyridin-3-amine

tert-butyl 4-[[6-fluoro-5-[2-methyl-7-(oxan-2-yl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-pyridinyl]methyl]piperazine-1-carboxylate;chloromethane;4-chloro-2-methyl-7-(oxan-2-yl)pyrrolo[2,3-d]pyrimidine;[2-fluoro-5-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]-3-pyridinyl]boronic acid;N-(6-methoxy-3-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-3-(2-methyl-7H-purin-6-yl)pyridin-2-amine;N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-(piperazin-1-ylmethyl)pyridin-2-amine;6-methylpyridin-3-amine (PubChem CID 159695090) has the molecular formula C106H135BCl2F2N32O10 and a molecular weight of 2137.17 g/mol. Its IUPAC name is tert-butyl 4-[[6-fluoro-5-[2-methyl-7-(oxan-2-yl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-pyridinyl]methyl]piperazine-1-carboxylate;chloromethane;4-chloro-2-methyl-7-(oxan-2-yl)pyrrolo[2,3-d]pyrimidine;[2-fluoro-5-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]-3-pyridinyl]boronic acid;N-(6-methoxy-3-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-3-(2-methyl-7H-purin-6-yl)pyridin-2-amine;N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-(piperazin-1-ylmethyl)pyridin-2-amine;6-methylpyridin-3-amine.

Molecular Properties

Compound Nametert-butyl 4-[[6-fluoro-5-[2-methyl-7-(oxan-2-yl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-pyridinyl]methyl]piperazine-1-carboxylate;chloromethane;4-chloro-2-methyl-7-(oxan-2-yl)pyrrolo[2,3-d]pyrimidine;[2-fluoro-5-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]-3-pyridinyl]boronic acid;N-(6-methoxy-3-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-3-(2-methyl-7H-purin-6-yl)pyridin-2-amine;N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-(piperazin-1-ylmethyl)pyridin-2-amine;6-methylpyridin-3-amine
PubChem CID159695090
Molecular FormulaC106H135BCl2F2N32O10
Molecular Weight2137.17 g/mol
Exact Mass2135.05
IUPAC Nametert-butyl 4-[[6-fluoro-5-[2-methyl-7-(oxan-2-yl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-pyridinyl]methyl]piperazine-1-carboxylate;chloromethane;4-chloro-2-methyl-7-(oxan-2-yl)pyrrolo[2,3-d]pyrimidine;[2-fluoro-5-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]-3-pyridinyl]boronic acid;N-(6-methoxy-3-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-3-(2-methyl-7H-purin-6-yl)pyridin-2-amine;N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-(piperazin-1-ylmethyl)pyridin-2-amine;6-methylpyridin-3-amine
SMILESCC(C)(C)OC(=O)N1CCN(Cc2cnc(F)c(B(O)O)c2)CC1.CCl.COc1ccc(Nc2ncc(CN3CCN(C)CC3)cc2-c2nc(C)nc3nc[nH]c23)cn1.COc1ccc(Nc2ncc(CN3CCNCC3)cc2-c2nc(C)nc3nc[nH]c23)cn1.Cc1ccc(N)cn1.Cc1nc(-c2cc(CN3CCN(C(=O)OC(C)(C)C)CC3)cnc2F)c2ccn(C3CCCCO3)c2n1.Cc1nc(Cl)c2ccn(C3CCCCO3)c2n1
InChIInChI=1S/C27H35FN6O3.C23H27N9O.C22H25N9O.C15H23BFN3O4.C12H14ClN3O.C6H8N2.CH3Cl/c1-18-30-23(20-8-9-34(25(20)31-18)22-7-5-6-14-36-22)21-15-19(16-29-24(21)28)17-32-10-12-33(13-11-32)26(35)37-27(2,3)4;1-15-28-20(21-23(29-15)27-14-26-21)18-10-16(13-32-8-6-31(2)7-9-32)11-25-22(18)30-17-4-5-19(33-3)24-12-17;1-14-28-19(20-22(29-14)27-13-26-20)17-9-15(12-31-7-5-23-6-8-31)10-25-21(17)30-16-3-4-18(32-2)24-11-16;1-15(2,3)24-14(21)20-6-4-19(5-7-20)10-11-8-12(16(22)23)13(17)18-9-11;1-8-14-11(13)9-5-6-16(12(9)15-8)10-4-2-3-7-17-10;1-5-2-3-6(7)4-8-5;1-2/h8-9,15-16,22H,5-7,10-14,17H2,1-4H3;4-5,10-12,14H,6-9,13H2,1-3H3,(H,25,30)(H,26,27,28,29);3-4,9-11,13,23H,5-8,12H2,1-2H3,(H,25,30)(H,26,27,28,29);8-9,22-23H,4-7,10H2,1-3H3;5-6,10H,2-4,7H2,1H3;2-4H,7H2,1H3;1H3
InChIKeyMWXDULIEOLGPCZ-UHFFFAOYSA-N
XLogP14.46
TPSA475.34 Ų
H-Bond Donors8
H-Bond Acceptors38
Rotatable Bonds20
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002137.17
LogP ≤ 514.46
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

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

Analyze tert-butyl 4-[[6-fluoro-5-[2-methyl-7-(oxan-2-yl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-pyridinyl]methyl]piperazine-1-carboxylate;chloromethane;4-chloro-2-methyl-7-(oxan-2-yl)pyrrolo[2,3-d]pyrimidine;[2-fluoro-5-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]-3-pyridinyl]boronic acid;N-(6-methoxy-3-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-3-(2-methyl-7H-purin-6-yl)pyridin-2-amine;N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-(piperazin-1-ylmethyl)pyridin-2-amine;6-methylpyridin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

4-[(1R)-1-[6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[2-methyl-9-(oxan-2-yl)purin-6-yl]-3-pyridinyl]ethyl]piperazine-1-carboxylic acid
CID 68513982
4-[(1R)-1-[6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[2-methyl-9-(oxan-2-yl)purin-6-yl]-3-pyridinyl]ethyl]-3-methylpiperazine-1-carboxylic acid
CID 68515435
Tert-butyl 4-((1r)-1-(6-(5-fluoro-6-methoxypyridin-3-ylamino)-5-(2-methyl-9-(tetrahydro-2h-pyran-2-yl)-9h-purin-6-yl)pyridin-3-yl)ethyl)piperazine-1-carboxylate
CID 68515999
tert-butyl 4-[(1R)-1-[6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[2-methyl-9-(oxan-2-yl)purin-6-yl]-3-pyridinyl]ethyl]-3-methylpiperazine-1-carboxylate
CID 68516007
(3s)-Tert-butyl 4-((1r)-1-(6-(5-fluoro-6-methoxypyridin-3-ylamino)-5-(2-methyl-9-(tetrahydro-2h-pyran-2-yl)-9h-purin-6-yl)pyridin-3-yl)ethyl)-3-methylpiperazine-1-carboxylate
CID 68516009
2-[amino-[1-[2-[3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]ethyl]piperidin-4-yl]methyl]-1-[3-[3-(4-chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]propyl]piperidin-4-ol
CID 87462719
1-[3-[3-(4-chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]propyl]-3-[[1-[2-[3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxypyrrolo[3,2-b]pyridin-1-yl]ethyl]piperidin-4-yl]methylamino]piperidin-4-ol
CID 87462720
tert-butyl (3S)-4-[2-[6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[2-methyl-9-(oxan-2-yl)purin-6-yl]-3-pyridinyl]ethyl]-3-methylpiperazine-1-carboxylate
CID 123580513
tert-butyl (3S)-4-[(1R)-1-[6-[(5-fluoro-6-methoxy-3-pyridinyl)amino]-5-[2-methyl-9-[(2R)-oxan-2-yl]purin-6-yl]-3-pyridinyl]ethyl]-3-methylpiperazine-1-carboxylate
CID 141289527
2-chloro-6-ethyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7H-purin-8-one;2,6-dichloro-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7H-purin-8-one;[2-(difluoromethoxy)-3-pyridinyl]boronic acid;2-[2-(difluoromethoxy)-3-pyridinyl]-6-ethyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7H-purin-8-one
CID 157078040
2-chloro-5-fluoropyridin-4-amine;N-(2-chloro-5-fluoro-4-pyridinyl)-9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-amine;N-[5-fluoro-4-[[9-[(4-methoxyphenyl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]purin-6-yl]amino]-2-pyridinyl]acetamide;N-[5-fluoro-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]-7H-purin-6-yl]amino]-2-pyridinyl]acetamide
CID 159025204
2-chloro-6-ethyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7H-purin-8-one;2,6-dichloro-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7H-purin-8-one;[2-(difluoromethoxy)-3-pyridinyl]boronic acid;2-[2-(difluoromethoxy)-3-pyridinyl]-6-ethyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7H-purin-8-one;methanamine;methane
CID 159124294

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[6-fluoro-5-[2-methyl-7-(oxan-2-yl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-pyridinyl]methyl]piperazine-1-carboxylate;chloromethane;4-chloro-2-methyl-7-(oxan-2-yl)pyrrolo[2,3-d]pyrimidine;[2-fluoro-5-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]-3-pyridinyl]boronic acid;N-(6-methoxy-3-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-3-(2-methyl-7H-purin-6-yl)pyridin-2-amine;N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-(piperazin-1-ylmethyl)pyridin-2-amine;6-methylpyridin-3-amine?
The IUPAC name of tert-butyl 4-[[6-fluoro-5-[2-methyl-7-(oxan-2-yl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-pyridinyl]methyl]piperazine-1-carboxylate;chloromethane;4-chloro-2-methyl-7-(oxan-2-yl)pyrrolo[2,3-d]pyrimidine;[2-fluoro-5-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]-3-pyridinyl]boronic acid;N-(6-methoxy-3-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-3-(2-methyl-7H-purin-6-yl)pyridin-2-amine;N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-(piperazin-1-ylmethyl)pyridin-2-amine;6-methylpyridin-3-amine (CID 159695090) is tert-butyl 4-[[6-fluoro-5-[2-methyl-7-(oxan-2-yl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-pyridinyl]methyl]piperazine-1-carboxylate;chloromethane;4-chloro-2-methyl-7-(oxan-2-yl)pyrrolo[2,3-d]pyrimidine;[2-fluoro-5-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]-3-pyridinyl]boronic acid;N-(6-methoxy-3-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-3-(2-methyl-7H-purin-6-yl)pyridin-2-amine;N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-(piperazin-1-ylmethyl)pyridin-2-amine;6-methylpyridin-3-amine.
What is the SMILES notation for tert-butyl 4-[[6-fluoro-5-[2-methyl-7-(oxan-2-yl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-pyridinyl]methyl]piperazine-1-carboxylate;chloromethane;4-chloro-2-methyl-7-(oxan-2-yl)pyrrolo[2,3-d]pyrimidine;[2-fluoro-5-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]-3-pyridinyl]boronic acid;N-(6-methoxy-3-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-3-(2-methyl-7H-purin-6-yl)pyridin-2-amine;N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-(piperazin-1-ylmethyl)pyridin-2-amine;6-methylpyridin-3-amine?
The canonical SMILES for tert-butyl 4-[[6-fluoro-5-[2-methyl-7-(oxan-2-yl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-pyridinyl]methyl]piperazine-1-carboxylate;chloromethane;4-chloro-2-methyl-7-(oxan-2-yl)pyrrolo[2,3-d]pyrimidine;[2-fluoro-5-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]-3-pyridinyl]boronic acid;N-(6-methoxy-3-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-3-(2-methyl-7H-purin-6-yl)pyridin-2-amine;N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-(piperazin-1-ylmethyl)pyridin-2-amine;6-methylpyridin-3-amine is CC(C)(C)OC(=O)N1CCN(Cc2cnc(F)c(B(O)O)c2)CC1.CCl.COc1ccc(Nc2ncc(CN3CCN(C)CC3)cc2-c2nc(C)nc3nc[nH]c23)cn1.COc1ccc(Nc2ncc(CN3CCNCC3)cc2-c2nc(C)nc3nc[nH]c23)cn1.Cc1ccc(N)cn1.Cc1nc(-c2cc(CN3CCN(C(=O)OC(C)(C)C)CC3)cnc2F)c2ccn(C3CCCCO3)c2n1.Cc1nc(Cl)c2ccn(C3CCCCO3)c2n1.
What is the InChIKey of tert-butyl 4-[[6-fluoro-5-[2-methyl-7-(oxan-2-yl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-pyridinyl]methyl]piperazine-1-carboxylate;chloromethane;4-chloro-2-methyl-7-(oxan-2-yl)pyrrolo[2,3-d]pyrimidine;[2-fluoro-5-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]-3-pyridinyl]boronic acid;N-(6-methoxy-3-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-3-(2-methyl-7H-purin-6-yl)pyridin-2-amine;N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-(piperazin-1-ylmethyl)pyridin-2-amine;6-methylpyridin-3-amine?
The InChIKey is MWXDULIEOLGPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35FN6O3.C23H27N9O.C22H25N9O.C15H23BFN3O4.C12H14ClN3O.C6H8N2.CH3Cl/c1-18-30-23(20-8-9-34(25(20)31-18)22-7-5-6-14-36-22)21-15-19(16-29-24(21)28)17-32-10-12-33(13-11-32)26(35)37-27(2,3)4;1-15-28-20(21-23(29-15)27-14-26-21)18-10-16(13-32-8-6-31(2)7-9-32)11-25-22(18)30-17-4-5-19(33-3)24-12-17;1-14-28-19(20-22(29-14)27-13-26-20)17-9-15(12-31-7-5-23-6-8-31)10-25-21(17)30-16-3-4-18(32-2)24-11-16;1-15(2,3)24-14(21)20-6-4-19(5-7-20)10-11-8-12(16(22)23)13(17)18-9-11;1-8-14-11(13)9-5-6-16(12(9)15-8)10-4-2-3-7-17-10;1-5-2-3-6(7)4-8-5;1-2/h8-9,15-16,22H,5-7,10-14,17H2,1-4H3;4-5,10-12,14H,6-9,13H2,1-3H3,(H,25,30)(H,26,27,28,29);3-4,9-11,13,23H,5-8,12H2,1-2H3,(H,25,30)(H,26,27,28,29);8-9,22-23H,4-7,10H2,1-3H3;5-6,10H,2-4,7H2,1H3;2-4H,7H2,1H3;1H3.
What are the key properties of tert-butyl 4-[[6-fluoro-5-[2-methyl-7-(oxan-2-yl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-pyridinyl]methyl]piperazine-1-carboxylate;chloromethane;4-chloro-2-methyl-7-(oxan-2-yl)pyrrolo[2,3-d]pyrimidine;[2-fluoro-5-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]-3-pyridinyl]boronic acid;N-(6-methoxy-3-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-3-(2-methyl-7H-purin-6-yl)pyridin-2-amine;N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-(piperazin-1-ylmethyl)pyridin-2-amine;6-methylpyridin-3-amine?
tert-butyl 4-[[6-fluoro-5-[2-methyl-7-(oxan-2-yl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-pyridinyl]methyl]piperazine-1-carboxylate;chloromethane;4-chloro-2-methyl-7-(oxan-2-yl)pyrrolo[2,3-d]pyrimidine;[2-fluoro-5-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]-3-pyridinyl]boronic acid;N-(6-methoxy-3-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-3-(2-methyl-7H-purin-6-yl)pyridin-2-amine;N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-(piperazin-1-ylmethyl)pyridin-2-amine;6-methylpyridin-3-amine has a molecular weight of 2137.17 g/mol, XLogP of 14.46, 20 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[6-fluoro-5-[2-methyl-7-(oxan-2-yl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-pyridinyl]methyl]piperazine-1-carboxylate;chloromethane;4-chloro-2-methyl-7-(oxan-2-yl)pyrrolo[2,3-d]pyrimidine;[2-fluoro-5-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]-3-pyridinyl]boronic acid;N-(6-methoxy-3-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]-3-(2-methyl-7H-purin-6-yl)pyridin-2-amine;N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-(piperazin-1-ylmethyl)pyridin-2-amine;6-methylpyridin-3-amine is sourced from PubChem (CID 159695090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).