6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-chloro-N-ethylpyrimidine-4-carboxamide;6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-chloropyrimidine-4-carboxylic acid;6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;methane;(2R)-1-methoxypropan-2-ol;methyl 2,6-dichloropyrimidine-4-carboxylate;5-(3-methylimidazol-4-yl)-3-(piperidin-4-ylmethoxy)pyridin-2-amine

C94H124Cl4N30O14 — CID 157080578

IUPAC6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-chloro-N-ethylpyrimidine-4-carboxamide;6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-chloropyrimidine-4-carboxylic acid;6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;methane;(2R)-1-methoxypropan-2-ol;methyl 2,6-dichloropyrimidine-4-carboxylate;5-(3-methylimidazol-4-yl)-3-(piperidin-4-ylmethoxy)pyridin-2-amine
SMILESC.CCNC(=O)c1cc(N2CCC(COc3cc(-c4cncn4C)cnc3N)CC2)nc(Cl)n1.CCNC(=O)c1cc(N2CCC(COc3cc(-c4cncn4C)cnc3N)CC2)nc(O[C@H](C)COC)n1.COC(=O)c1cc(Cl)nc(Cl)n1.COC[C@@H](C)O.Cn1cncc1-c1cnc(N)c(OCC2CCN(c3cc(C(=O)O)nc(Cl)n3)CC2)c1.Cn1cncc1-c1cnc(N)c(OCC2CCNCC2)c1
InChIInChI=1S/C26H36N8O4.C22H27ClN8O2.C20H22ClN7O3.C15H21N5O.C6H4Cl2N2O2.C4H10O2.CH4/c1-5-29-25(35)20-11-23(32-26(31-20)38-17(2)14-36-4)34-8-6-18(7-9-34)15-37-22-10-19(12-30-24(22)27)21-13-28-16-33(21)3;1-3-26-21(32)16-9-19(29-22(23)28-16)31-6-4-14(5-7-31)12-33-18-8-15(10-27-20(18)24)17-11-25-13-30(17)2;1-27-11-23-9-15(27)13-6-16(18(22)24-8-13)31-10-12-2-4-28(5-3-12)17-7-14(19(29)30)25-20(21)26-17;1-20-10-18-8-13(20)12-6-14(15(16)19-7-12)21-9-11-2-4-17-5-3-11;1-12-5(11)3-2-4(7)10-6(8)9-3;1-4(5)3-6-2;/h10-13,16-18H,5-9,14-15H2,1-4H3,(H2,27,30)(H,29,35);8-11,13-14H,3-7,12H2,1-2H3,(H2,24,27)(H,26,32);6-9,11-12H,2-5,10H2,1H3,(H2,22,24)(H,29,30);6-8,10-11,17H,2-5,9H2,1H3,(H2,16,19);2H,1H3;4-5H,3H2,1-2H3;1H4/t17-;;;;;4-;/m1....1./s1
InChIKeyADMMQHDFUUVLDX-OOIWYMBHSA-N
MW2040.03 g/mol
LogP11.03
Rot. Bonds31

About 6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-chloro-N-ethylpyrimidine-4-carboxamide;6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-chloropyrimidine-4-carboxylic acid;6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;methane;(2R)-1-methoxypropan-2-ol;methyl 2,6-dichloropyrimidine-4-carboxylate;5-(3-methylimidazol-4-yl)-3-(piperidin-4-ylmethoxy)pyridin-2-amine

6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-chloro-N-ethylpyrimidine-4-carboxamide;6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-chloropyrimidine-4-carboxylic acid;6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;methane;(2R)-1-methoxypropan-2-ol;methyl 2,6-dichloropyrimidine-4-carboxylate;5-(3-methylimidazol-4-yl)-3-(piperidin-4-ylmethoxy)pyridin-2-amine (PubChem CID 157080578) has the molecular formula C94H124Cl4N30O14 and a molecular weight of 2040.03 g/mol. Its IUPAC name is 6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-chloro-N-ethylpyrimidine-4-carboxamide;6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-chloropyrimidine-4-carboxylic acid;6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;methane;(2R)-1-methoxypropan-2-ol;methyl 2,6-dichloropyrimidine-4-carboxylate;5-(3-methylimidazol-4-yl)-3-(piperidin-4-ylmethoxy)pyridin-2-amine.

Molecular Properties

Compound Name6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-chloro-N-ethylpyrimidine-4-carboxamide;6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-chloropyrimidine-4-carboxylic acid;6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;methane;(2R)-1-methoxypropan-2-ol;methyl 2,6-dichloropyrimidine-4-carboxylate;5-(3-methylimidazol-4-yl)-3-(piperidin-4-ylmethoxy)pyridin-2-amine
PubChem CID157080578
Molecular FormulaC94H124Cl4N30O14
Molecular Weight2040.03 g/mol
Exact Mass2036.87
IUPAC Name6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-chloro-N-ethylpyrimidine-4-carboxamide;6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-chloropyrimidine-4-carboxylic acid;6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;methane;(2R)-1-methoxypropan-2-ol;methyl 2,6-dichloropyrimidine-4-carboxylate;5-(3-methylimidazol-4-yl)-3-(piperidin-4-ylmethoxy)pyridin-2-amine
SMILESC.CCNC(=O)c1cc(N2CCC(COc3cc(-c4cncn4C)cnc3N)CC2)nc(Cl)n1.CCNC(=O)c1cc(N2CCC(COc3cc(-c4cncn4C)cnc3N)CC2)nc(O[C@H](C)COC)n1.COC(=O)c1cc(Cl)nc(Cl)n1.COC[C@@H](C)O.Cn1cncc1-c1cnc(N)c(OCC2CCN(c3cc(C(=O)O)nc(Cl)n3)CC2)c1.Cn1cncc1-c1cnc(N)c(OCC2CCNCC2)c1
InChIInChI=1S/C26H36N8O4.C22H27ClN8O2.C20H22ClN7O3.C15H21N5O.C6H4Cl2N2O2.C4H10O2.CH4/c1-5-29-25(35)20-11-23(32-26(31-20)38-17(2)14-36-4)34-8-6-18(7-9-34)15-37-22-10-19(12-30-24(22)27)21-13-28-16-33(21)3;1-3-26-21(32)16-9-19(29-22(23)28-16)31-6-4-14(5-7-31)12-33-18-8-15(10-27-20(18)24)17-11-25-13-30(17)2;1-27-11-23-9-15(27)13-6-16(18(22)24-8-13)31-10-12-2-4-28(5-3-12)17-7-14(19(29)30)25-20(21)26-17;1-20-10-18-8-13(20)12-6-14(15(16)19-7-12)21-9-11-2-4-17-5-3-11;1-12-5(11)3-2-4(7)10-6(8)9-3;1-4(5)3-6-2;/h10-13,16-18H,5-9,14-15H2,1-4H3,(H2,27,30)(H,29,35);8-11,13-14H,3-7,12H2,1-2H3,(H2,24,27)(H,26,32);6-9,11-12H,2-5,10H2,1H3,(H2,22,24)(H,29,30);6-8,10-11,17H,2-5,9H2,1H3,(H2,16,19);2H,1H3;4-5H,3H2,1-2H3;1H4/t17-;;;;;4-;/m1....1./s1
InChIKeyADMMQHDFUUVLDX-OOIWYMBHSA-N
XLogP11.03
TPSA558.43 Ų
H-Bond Donors9
H-Bond Acceptors41
Rotatable Bonds31
Heavy Atoms142
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002040.03
LogP ≤ 511.03
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1041

Analyze 6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-chloro-N-ethylpyrimidine-4-carboxamide;6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-chloropyrimidine-4-carboxylic acid;6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;methane;(2R)-1-methoxypropan-2-ol;methyl 2,6-dichloropyrimidine-4-carboxylate;5-(3-methylimidazol-4-yl)-3-(piperidin-4-ylmethoxy)pyridin-2-amine 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

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-chloro-N-ethylpyrimidine-4-carboxamide;6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-chloropyrimidine-4-carboxylic acid;6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;methane;(2R)-1-methoxypropan-2-ol;methyl 2,6-dichloropyrimidine-4-carboxylate;5-(3-methylimidazol-4-yl)-3-(piperidin-4-ylmethoxy)pyridin-2-amine?
The IUPAC name of 6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-chloro-N-ethylpyrimidine-4-carboxamide;6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-chloropyrimidine-4-carboxylic acid;6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;methane;(2R)-1-methoxypropan-2-ol;methyl 2,6-dichloropyrimidine-4-carboxylate;5-(3-methylimidazol-4-yl)-3-(piperidin-4-ylmethoxy)pyridin-2-amine (CID 157080578) is 6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-chloro-N-ethylpyrimidine-4-carboxamide;6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-chloropyrimidine-4-carboxylic acid;6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;methane;(2R)-1-methoxypropan-2-ol;methyl 2,6-dichloropyrimidine-4-carboxylate;5-(3-methylimidazol-4-yl)-3-(piperidin-4-ylmethoxy)pyridin-2-amine.
What is the SMILES notation for 6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-chloro-N-ethylpyrimidine-4-carboxamide;6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-chloropyrimidine-4-carboxylic acid;6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;methane;(2R)-1-methoxypropan-2-ol;methyl 2,6-dichloropyrimidine-4-carboxylate;5-(3-methylimidazol-4-yl)-3-(piperidin-4-ylmethoxy)pyridin-2-amine?
The canonical SMILES for 6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-chloro-N-ethylpyrimidine-4-carboxamide;6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-chloropyrimidine-4-carboxylic acid;6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;methane;(2R)-1-methoxypropan-2-ol;methyl 2,6-dichloropyrimidine-4-carboxylate;5-(3-methylimidazol-4-yl)-3-(piperidin-4-ylmethoxy)pyridin-2-amine is C.CCNC(=O)c1cc(N2CCC(COc3cc(-c4cncn4C)cnc3N)CC2)nc(Cl)n1.CCNC(=O)c1cc(N2CCC(COc3cc(-c4cncn4C)cnc3N)CC2)nc(O[C@H](C)COC)n1.COC(=O)c1cc(Cl)nc(Cl)n1.COC[C@@H](C)O.Cn1cncc1-c1cnc(N)c(OCC2CCN(c3cc(C(=O)O)nc(Cl)n3)CC2)c1.Cn1cncc1-c1cnc(N)c(OCC2CCNCC2)c1.
What is the InChIKey of 6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-chloro-N-ethylpyrimidine-4-carboxamide;6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-chloropyrimidine-4-carboxylic acid;6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;methane;(2R)-1-methoxypropan-2-ol;methyl 2,6-dichloropyrimidine-4-carboxylate;5-(3-methylimidazol-4-yl)-3-(piperidin-4-ylmethoxy)pyridin-2-amine?
The InChIKey is ADMMQHDFUUVLDX-OOIWYMBHSA-N. The full InChI is InChI=1S/C26H36N8O4.C22H27ClN8O2.C20H22ClN7O3.C15H21N5O.C6H4Cl2N2O2.C4H10O2.CH4/c1-5-29-25(35)20-11-23(32-26(31-20)38-17(2)14-36-4)34-8-6-18(7-9-34)15-37-22-10-19(12-30-24(22)27)21-13-28-16-33(21)3;1-3-26-21(32)16-9-19(29-22(23)28-16)31-6-4-14(5-7-31)12-33-18-8-15(10-27-20(18)24)17-11-25-13-30(17)2;1-27-11-23-9-15(27)13-6-16(18(22)24-8-13)31-10-12-2-4-28(5-3-12)17-7-14(19(29)30)25-20(21)26-17;1-20-10-18-8-13(20)12-6-14(15(16)19-7-12)21-9-11-2-4-17-5-3-11;1-12-5(11)3-2-4(7)10-6(8)9-3;1-4(5)3-6-2;/h10-13,16-18H,5-9,14-15H2,1-4H3,(H2,27,30)(H,29,35);8-11,13-14H,3-7,12H2,1-2H3,(H2,24,27)(H,26,32);6-9,11-12H,2-5,10H2,1H3,(H2,22,24)(H,29,30);6-8,10-11,17H,2-5,9H2,1H3,(H2,16,19);2H,1H3;4-5H,3H2,1-2H3;1H4/t17-;;;;;4-;/m1....1./s1.
What are the key properties of 6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-chloro-N-ethylpyrimidine-4-carboxamide;6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-chloropyrimidine-4-carboxylic acid;6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;methane;(2R)-1-methoxypropan-2-ol;methyl 2,6-dichloropyrimidine-4-carboxylate;5-(3-methylimidazol-4-yl)-3-(piperidin-4-ylmethoxy)pyridin-2-amine?
6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-chloro-N-ethylpyrimidine-4-carboxamide;6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-chloropyrimidine-4-carboxylic acid;6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;methane;(2R)-1-methoxypropan-2-ol;methyl 2,6-dichloropyrimidine-4-carboxylate;5-(3-methylimidazol-4-yl)-3-(piperidin-4-ylmethoxy)pyridin-2-amine has a molecular weight of 2040.03 g/mol, XLogP of 11.03, 31 rotatable bonds, 9 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-chloro-N-ethylpyrimidine-4-carboxamide;6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-2-chloropyrimidine-4-carboxylic acid;6-[4-[[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]-N-ethyl-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidine-4-carboxamide;methane;(2R)-1-methoxypropan-2-ol;methyl 2,6-dichloropyrimidine-4-carboxylate;5-(3-methylimidazol-4-yl)-3-(piperidin-4-ylmethoxy)pyridin-2-amine is sourced from PubChem (CID 157080578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).