4-ethyl-2-methyl-5-[1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]-1,2,4-triazol-3-one;4-(2-ethylpyrimidine-5-carbonyl)-3-methyl-1-propan-2-yloxypiperazin-2-one;5-[[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-[[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methyl]benzamide;(4-pyrimidin-2-yloxypiperidin-1-yl)-(2H-triazol-4-yl)methanone

C81H101FN26O11 — CID 160992031

IUPAC4-ethyl-2-methyl-5-[1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]-1,2,4-triazol-3-one;4-(2-ethylpyrimidine-5-carbonyl)-3-methyl-1-propan-2-yloxypiperazin-2-one;5-[[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-[[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methyl]benzamide;(4-pyrimidin-2-yloxypiperidin-1-yl)-(2H-triazol-4-yl)methanone
SMILESCCc1ncc(C(=O)N2CCN(OC(C)C)C(=O)C2C)cn1.CCn1c(C2CCN(C(=O)C(C)n3cncn3)CC2)nn(C)c1=O.Cc1cc2nc(CN3CCCC3c3nc4ccc(F)cc4[nH]3)cc(=O)n2[nH]1.NC(=O)c1cccc(CC2CCN(C(=O)CCn3ccccc3=O)C2)c1.O=C(c1cn[nH]n1)N1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C20H23N3O3.C19H19FN6O.C15H23N7O2.C15H22N4O3.C12H14N6O2/c21-20(26)17-5-3-4-15(13-17)12-16-7-10-23(14-16)19(25)8-11-22-9-2-1-6-18(22)24;1-11-7-17-21-13(9-18(27)26(17)24-11)10-25-6-2-3-16(25)19-22-14-5-4-12(20)8-15(14)23-19;1-4-21-13(18-19(3)15(21)24)12-5-7-20(8-6-12)14(23)11(2)22-10-16-9-17-22;1-5-13-16-8-12(9-17-13)15(21)18-6-7-19(22-10(2)3)14(20)11(18)4;19-11(10-8-15-17-16-10)18-6-2-9(3-7-18)20-12-13-4-1-5-14-12/h1-6,9,13,16H,7-8,10-12,14H2,(H2,21,26);4-5,7-9,16,24H,2-3,6,10H2,1H3,(H,22,23);9-12H,4-8H2,1-3H3;8-11H,5-7H2,1-4H3;1,4-5,8-9H,2-3,6-7H2,(H,15,16,17)
InChIKeyMKKIIGYRXUTOID-UHFFFAOYSA-N
MW1633.87 g/mol
LogP5.60
Rot. Bonds20

About 4-ethyl-2-methyl-5-[1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]-1,2,4-triazol-3-one;4-(2-ethylpyrimidine-5-carbonyl)-3-methyl-1-propan-2-yloxypiperazin-2-one;5-[[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-[[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methyl]benzamide;(4-pyrimidin-2-yloxypiperidin-1-yl)-(2H-triazol-4-yl)methanone

4-ethyl-2-methyl-5-[1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]-1,2,4-triazol-3-one;4-(2-ethylpyrimidine-5-carbonyl)-3-methyl-1-propan-2-yloxypiperazin-2-one;5-[[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-[[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methyl]benzamide;(4-pyrimidin-2-yloxypiperidin-1-yl)-(2H-triazol-4-yl)methanone (PubChem CID 160992031) has the molecular formula C81H101FN26O11 and a molecular weight of 1633.87 g/mol. Its IUPAC name is 4-ethyl-2-methyl-5-[1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]-1,2,4-triazol-3-one;4-(2-ethylpyrimidine-5-carbonyl)-3-methyl-1-propan-2-yloxypiperazin-2-one;5-[[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-[[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methyl]benzamide;(4-pyrimidin-2-yloxypiperidin-1-yl)-(2H-triazol-4-yl)methanone.

Molecular Properties

Compound Name4-ethyl-2-methyl-5-[1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]-1,2,4-triazol-3-one;4-(2-ethylpyrimidine-5-carbonyl)-3-methyl-1-propan-2-yloxypiperazin-2-one;5-[[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-[[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methyl]benzamide;(4-pyrimidin-2-yloxypiperidin-1-yl)-(2H-triazol-4-yl)methanone
PubChem CID160992031
Molecular FormulaC81H101FN26O11
Molecular Weight1633.87 g/mol
Exact Mass1632.81
IUPAC Name4-ethyl-2-methyl-5-[1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]-1,2,4-triazol-3-one;4-(2-ethylpyrimidine-5-carbonyl)-3-methyl-1-propan-2-yloxypiperazin-2-one;5-[[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-[[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methyl]benzamide;(4-pyrimidin-2-yloxypiperidin-1-yl)-(2H-triazol-4-yl)methanone
SMILESCCc1ncc(C(=O)N2CCN(OC(C)C)C(=O)C2C)cn1.CCn1c(C2CCN(C(=O)C(C)n3cncn3)CC2)nn(C)c1=O.Cc1cc2nc(CN3CCCC3c3nc4ccc(F)cc4[nH]3)cc(=O)n2[nH]1.NC(=O)c1cccc(CC2CCN(C(=O)CCn3ccccc3=O)C2)c1.O=C(c1cn[nH]n1)N1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C20H23N3O3.C19H19FN6O.C15H23N7O2.C15H22N4O3.C12H14N6O2/c21-20(26)17-5-3-4-15(13-17)12-16-7-10-23(14-16)19(25)8-11-22-9-2-1-6-18(22)24;1-11-7-17-21-13(9-18(27)26(17)24-11)10-25-6-2-3-16(25)19-22-14-5-4-12(20)8-15(14)23-19;1-4-21-13(18-19(3)15(21)24)12-5-7-20(8-6-12)14(23)11(2)22-10-16-9-17-22;1-5-13-16-8-12(9-17-13)15(21)18-6-7-19(22-10(2)3)14(20)11(18)4;19-11(10-8-15-17-16-10)18-6-2-9(3-7-18)20-12-13-4-1-5-14-12/h1-6,9,13,16H,7-8,10-12,14H2,(H2,21,26);4-5,7-9,16,24H,2-3,6,10H2,1H3,(H,22,23);9-12H,4-8H2,1-3H3;8-11H,5-7H2,1-4H3;1,4-5,8-9H,2-3,6-7H2,(H,15,16,17)
InChIKeyMKKIIGYRXUTOID-UHFFFAOYSA-N
XLogP5.60
TPSA430.84 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds20
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001633.87
LogP ≤ 55.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Analyze 4-ethyl-2-methyl-5-[1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]-1,2,4-triazol-3-one;4-(2-ethylpyrimidine-5-carbonyl)-3-methyl-1-propan-2-yloxypiperazin-2-one;5-[[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-[[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methyl]benzamide;(4-pyrimidin-2-yloxypiperidin-1-yl)-(2H-triazol-4-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-5-[1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]-1,2,4-triazol-3-one;4-(2-ethylpyrimidine-5-carbonyl)-3-methyl-1-propan-2-yloxypiperazin-2-one;5-[[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-[[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methyl]benzamide;(4-pyrimidin-2-yloxypiperidin-1-yl)-(2H-triazol-4-yl)methanone?
The IUPAC name of 4-ethyl-2-methyl-5-[1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]-1,2,4-triazol-3-one;4-(2-ethylpyrimidine-5-carbonyl)-3-methyl-1-propan-2-yloxypiperazin-2-one;5-[[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-[[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methyl]benzamide;(4-pyrimidin-2-yloxypiperidin-1-yl)-(2H-triazol-4-yl)methanone (CID 160992031) is 4-ethyl-2-methyl-5-[1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]-1,2,4-triazol-3-one;4-(2-ethylpyrimidine-5-carbonyl)-3-methyl-1-propan-2-yloxypiperazin-2-one;5-[[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-[[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methyl]benzamide;(4-pyrimidin-2-yloxypiperidin-1-yl)-(2H-triazol-4-yl)methanone.
What is the SMILES notation for 4-ethyl-2-methyl-5-[1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]-1,2,4-triazol-3-one;4-(2-ethylpyrimidine-5-carbonyl)-3-methyl-1-propan-2-yloxypiperazin-2-one;5-[[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-[[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methyl]benzamide;(4-pyrimidin-2-yloxypiperidin-1-yl)-(2H-triazol-4-yl)methanone?
The canonical SMILES for 4-ethyl-2-methyl-5-[1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]-1,2,4-triazol-3-one;4-(2-ethylpyrimidine-5-carbonyl)-3-methyl-1-propan-2-yloxypiperazin-2-one;5-[[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-[[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methyl]benzamide;(4-pyrimidin-2-yloxypiperidin-1-yl)-(2H-triazol-4-yl)methanone is CCc1ncc(C(=O)N2CCN(OC(C)C)C(=O)C2C)cn1.CCn1c(C2CCN(C(=O)C(C)n3cncn3)CC2)nn(C)c1=O.Cc1cc2nc(CN3CCCC3c3nc4ccc(F)cc4[nH]3)cc(=O)n2[nH]1.NC(=O)c1cccc(CC2CCN(C(=O)CCn3ccccc3=O)C2)c1.O=C(c1cn[nH]n1)N1CCC(Oc2ncccn2)CC1.
What is the InChIKey of 4-ethyl-2-methyl-5-[1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]-1,2,4-triazol-3-one;4-(2-ethylpyrimidine-5-carbonyl)-3-methyl-1-propan-2-yloxypiperazin-2-one;5-[[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-[[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methyl]benzamide;(4-pyrimidin-2-yloxypiperidin-1-yl)-(2H-triazol-4-yl)methanone?
The InChIKey is MKKIIGYRXUTOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3.C19H19FN6O.C15H23N7O2.C15H22N4O3.C12H14N6O2/c21-20(26)17-5-3-4-15(13-17)12-16-7-10-23(14-16)19(25)8-11-22-9-2-1-6-18(22)24;1-11-7-17-21-13(9-18(27)26(17)24-11)10-25-6-2-3-16(25)19-22-14-5-4-12(20)8-15(14)23-19;1-4-21-13(18-19(3)15(21)24)12-5-7-20(8-6-12)14(23)11(2)22-10-16-9-17-22;1-5-13-16-8-12(9-17-13)15(21)18-6-7-19(22-10(2)3)14(20)11(18)4;19-11(10-8-15-17-16-10)18-6-2-9(3-7-18)20-12-13-4-1-5-14-12/h1-6,9,13,16H,7-8,10-12,14H2,(H2,21,26);4-5,7-9,16,24H,2-3,6,10H2,1H3,(H,22,23);9-12H,4-8H2,1-3H3;8-11H,5-7H2,1-4H3;1,4-5,8-9H,2-3,6-7H2,(H,15,16,17).
What are the key properties of 4-ethyl-2-methyl-5-[1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]-1,2,4-triazol-3-one;4-(2-ethylpyrimidine-5-carbonyl)-3-methyl-1-propan-2-yloxypiperazin-2-one;5-[[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-[[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methyl]benzamide;(4-pyrimidin-2-yloxypiperidin-1-yl)-(2H-triazol-4-yl)methanone?
4-ethyl-2-methyl-5-[1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]-1,2,4-triazol-3-one;4-(2-ethylpyrimidine-5-carbonyl)-3-methyl-1-propan-2-yloxypiperazin-2-one;5-[[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-[[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methyl]benzamide;(4-pyrimidin-2-yloxypiperidin-1-yl)-(2H-triazol-4-yl)methanone has a molecular weight of 1633.87 g/mol, XLogP of 5.60, 20 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-5-[1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]-1,2,4-triazol-3-one;4-(2-ethylpyrimidine-5-carbonyl)-3-methyl-1-propan-2-yloxypiperazin-2-one;5-[[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-[[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methyl]benzamide;(4-pyrimidin-2-yloxypiperidin-1-yl)-(2H-triazol-4-yl)methanone is sourced from PubChem (CID 160992031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).