sodium;butyl 4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carboxylate;4-(4-cyclopropylimidazol-1-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;2-[5-[3-[[4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carbonyl]amino]phenyl]tetrazol-1-yl]propyl acetate;4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carboxylic acid;methane;methanol;hydroxide

C101H115N32NaO12 — CID 161039790

IUPACsodium;butyl 4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carboxylate;4-(4-cyclopropylimidazol-1-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;2-[5-[3-[[4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carbonyl]amino]phenyl]tetrazol-1-yl]propyl acetate;4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carboxylic acid;methane;methanol;hydroxide
SMILESC.CC(=O)OCC(C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C)cn2)c1.CCCCOC(=O)c1cc(-n2cnc(C3CC3)c2)c(C)cn1.CO.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-n1cnc(C2CC2)c1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3C(C)CO)n2)cc1-n1cnc(C2CC2)c1.Cc1cnc(C(=O)O)cc1-n1cnc(C2CC2)c1.[Na+].[OH-]
InChIInChI=1S/C25H26N8O3.C22H23N9O2.C22H23N9O.C17H21N3O2.C13H13N3O2.CH4O.CH4.Na.H2O/c1-15-11-26-21(10-23(15)32-12-22(27-14-32)18-7-8-18)25(35)28-20-6-4-5-19(9-20)24-29-30-31-33(24)16(2)13-36-17(3)34;1-13-9-23-17(8-19(13)30-10-18(24-12-30)15-6-7-15)22(33)26-20-5-3-4-16(25-20)21-27-28-29-31(21)14(2)11-32;1-13(2)31-21(27-28-29-31)16-5-4-6-20(25-16)26-22(32)17-9-19(14(3)10-23-17)30-11-18(24-12-30)15-7-8-15;1-3-4-7-22-17(21)14-8-16(12(2)9-18-14)20-10-15(19-11-20)13-5-6-13;1-8-5-14-10(13(17)18)4-12(8)16-6-11(15-7-16)9-2-3-9;1-2;;;/h4-6,9-12,14,16,18H,7-8,13H2,1-3H3,(H,28,35);3-5,8-10,12,14-15,32H,6-7,11H2,1-2H3,(H,25,26,33);4-6,9-13,15H,7-8H2,1-3H3,(H,25,26,32);8-11,13H,3-7H2,1-2H3;4-7,9H,2-3H2,1H3,(H,17,18);2H,1H3;1H4;;1H2/q;;;;;;;+1;/p-1
InChIKeyUASRHCDCJLGQNL-UHFFFAOYSA-M
MW1992.23 g/mol
LogP11.76
Rot. Bonds30

About sodium;butyl 4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carboxylate;4-(4-cyclopropylimidazol-1-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;2-[5-[3-[[4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carbonyl]amino]phenyl]tetrazol-1-yl]propyl acetate;4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carboxylic acid;methane;methanol;hydroxide

sodium;butyl 4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carboxylate;4-(4-cyclopropylimidazol-1-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;2-[5-[3-[[4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carbonyl]amino]phenyl]tetrazol-1-yl]propyl acetate;4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carboxylic acid;methane;methanol;hydroxide (PubChem CID 161039790) has the molecular formula C101H115N32NaO12 and a molecular weight of 1992.23 g/mol. Its IUPAC name is sodium;butyl 4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carboxylate;4-(4-cyclopropylimidazol-1-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;2-[5-[3-[[4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carbonyl]amino]phenyl]tetrazol-1-yl]propyl acetate;4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carboxylic acid;methane;methanol;hydroxide.

Molecular Properties

Compound Namesodium;butyl 4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carboxylate;4-(4-cyclopropylimidazol-1-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;2-[5-[3-[[4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carbonyl]amino]phenyl]tetrazol-1-yl]propyl acetate;4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carboxylic acid;methane;methanol;hydroxide
PubChem CID161039790
Molecular FormulaC101H115N32NaO12
Molecular Weight1992.23 g/mol
Exact Mass1990.93
IUPAC Namesodium;butyl 4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carboxylate;4-(4-cyclopropylimidazol-1-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;2-[5-[3-[[4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carbonyl]amino]phenyl]tetrazol-1-yl]propyl acetate;4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carboxylic acid;methane;methanol;hydroxide
SMILESC.CC(=O)OCC(C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C)cn2)c1.CCCCOC(=O)c1cc(-n2cnc(C3CC3)c2)c(C)cn1.CO.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-n1cnc(C2CC2)c1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3C(C)CO)n2)cc1-n1cnc(C2CC2)c1.Cc1cnc(C(=O)O)cc1-n1cnc(C2CC2)c1.[Na+].[OH-]
InChIInChI=1S/C25H26N8O3.C22H23N9O2.C22H23N9O.C17H21N3O2.C13H13N3O2.CH4O.CH4.Na.H2O/c1-15-11-26-21(10-23(15)32-12-22(27-14-32)18-7-8-18)25(35)28-20-6-4-5-19(9-20)24-29-30-31-33(24)16(2)13-36-17(3)34;1-13-9-23-17(8-19(13)30-10-18(24-12-30)15-6-7-15)22(33)26-20-5-3-4-16(25-20)21-27-28-29-31(21)14(2)11-32;1-13(2)31-21(27-28-29-31)16-5-4-6-20(25-16)26-22(32)17-9-19(14(3)10-23-17)30-11-18(24-12-30)15-7-8-15;1-3-4-7-22-17(21)14-8-16(12(2)9-18-14)20-10-15(19-11-20)13-5-6-13;1-8-5-14-10(13(17)18)4-12(8)16-6-11(15-7-16)9-2-3-9;1-2;;;/h4-6,9-12,14,16,18H,7-8,13H2,1-3H3,(H,28,35);3-5,8-10,12,14-15,32H,6-7,11H2,1-2H3,(H,25,26,33);4-6,9-13,15H,7-8H2,1-3H3,(H,25,26,32);8-11,13H,3-7H2,1-2H3;4-7,9H,2-3H2,1H3,(H,17,18);2H,1H3;1H4;;1H2/q;;;;;;;+1;/p-1
InChIKeyUASRHCDCJLGQNL-UHFFFAOYSA-M
XLogP11.76
TPSA557.79 Ų
H-Bond Donors6
H-Bond Acceptors40
Rotatable Bonds30
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001992.23
LogP ≤ 511.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze sodium;butyl 4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carboxylate;4-(4-cyclopropylimidazol-1-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;2-[5-[3-[[4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carbonyl]amino]phenyl]tetrazol-1-yl]propyl acetate;4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carboxylic acid;methane;methanol;hydroxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of sodium;butyl 4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carboxylate;4-(4-cyclopropylimidazol-1-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;2-[5-[3-[[4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carbonyl]amino]phenyl]tetrazol-1-yl]propyl acetate;4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carboxylic acid;methane;methanol;hydroxide?
The IUPAC name of sodium;butyl 4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carboxylate;4-(4-cyclopropylimidazol-1-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;2-[5-[3-[[4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carbonyl]amino]phenyl]tetrazol-1-yl]propyl acetate;4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carboxylic acid;methane;methanol;hydroxide (CID 161039790) is sodium;butyl 4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carboxylate;4-(4-cyclopropylimidazol-1-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;2-[5-[3-[[4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carbonyl]amino]phenyl]tetrazol-1-yl]propyl acetate;4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carboxylic acid;methane;methanol;hydroxide.
What is the SMILES notation for sodium;butyl 4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carboxylate;4-(4-cyclopropylimidazol-1-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;2-[5-[3-[[4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carbonyl]amino]phenyl]tetrazol-1-yl]propyl acetate;4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carboxylic acid;methane;methanol;hydroxide?
The canonical SMILES for sodium;butyl 4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carboxylate;4-(4-cyclopropylimidazol-1-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;2-[5-[3-[[4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carbonyl]amino]phenyl]tetrazol-1-yl]propyl acetate;4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carboxylic acid;methane;methanol;hydroxide is C.CC(=O)OCC(C)n1nnnc1-c1cccc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(C)cn2)c1.CCCCOC(=O)c1cc(-n2cnc(C3CC3)c2)c(C)cn1.CO.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-n1cnc(C2CC2)c1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3C(C)CO)n2)cc1-n1cnc(C2CC2)c1.Cc1cnc(C(=O)O)cc1-n1cnc(C2CC2)c1.[Na+].[OH-].
What is the InChIKey of sodium;butyl 4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carboxylate;4-(4-cyclopropylimidazol-1-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;2-[5-[3-[[4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carbonyl]amino]phenyl]tetrazol-1-yl]propyl acetate;4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carboxylic acid;methane;methanol;hydroxide?
The InChIKey is UASRHCDCJLGQNL-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H26N8O3.C22H23N9O2.C22H23N9O.C17H21N3O2.C13H13N3O2.CH4O.CH4.Na.H2O/c1-15-11-26-21(10-23(15)32-12-22(27-14-32)18-7-8-18)25(35)28-20-6-4-5-19(9-20)24-29-30-31-33(24)16(2)13-36-17(3)34;1-13-9-23-17(8-19(13)30-10-18(24-12-30)15-6-7-15)22(33)26-20-5-3-4-16(25-20)21-27-28-29-31(21)14(2)11-32;1-13(2)31-21(27-28-29-31)16-5-4-6-20(25-16)26-22(32)17-9-19(14(3)10-23-17)30-11-18(24-12-30)15-7-8-15;1-3-4-7-22-17(21)14-8-16(12(2)9-18-14)20-10-15(19-11-20)13-5-6-13;1-8-5-14-10(13(17)18)4-12(8)16-6-11(15-7-16)9-2-3-9;1-2;;;/h4-6,9-12,14,16,18H,7-8,13H2,1-3H3,(H,28,35);3-5,8-10,12,14-15,32H,6-7,11H2,1-2H3,(H,25,26,33);4-6,9-13,15H,7-8H2,1-3H3,(H,25,26,32);8-11,13H,3-7H2,1-2H3;4-7,9H,2-3H2,1H3,(H,17,18);2H,1H3;1H4;;1H2/q;;;;;;;+1;/p-1.
What are the key properties of sodium;butyl 4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carboxylate;4-(4-cyclopropylimidazol-1-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;2-[5-[3-[[4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carbonyl]amino]phenyl]tetrazol-1-yl]propyl acetate;4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carboxylic acid;methane;methanol;hydroxide?
sodium;butyl 4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carboxylate;4-(4-cyclopropylimidazol-1-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;2-[5-[3-[[4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carbonyl]amino]phenyl]tetrazol-1-yl]propyl acetate;4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carboxylic acid;methane;methanol;hydroxide has a molecular weight of 1992.23 g/mol, XLogP of 11.76, 30 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;butyl 4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carboxylate;4-(4-cyclopropylimidazol-1-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;2-[5-[3-[[4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carbonyl]amino]phenyl]tetrazol-1-yl]propyl acetate;4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carboxylic acid;methane;methanol;hydroxide is sourced from PubChem (CID 161039790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).