2-chloro-4-(4-fluorophenyl)pyridine;ethyl 7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]heptanoate;4-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)pyridin-2-amine;7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyheptanamide;1-methyl-4H-pyrazol-4-ylium-3-amine;yttrium

C76H81ClF4N17O4Y+ — CID 159946398

IUPAC2-chloro-4-(4-fluorophenyl)pyridine;ethyl 7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]heptanoate;4-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)pyridin-2-amine;7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyheptanamide;1-methyl-4H-pyrazol-4-ylium-3-amine;yttrium
SMILESCCOC(=O)CCCCCCN(c1cc(-c2ccc(F)cc2)ccn1)c1ccn(C)n1.CN1C=[C+]C(N)=N1.Cn1ccc(N(CCCCCCC(=O)NO)c2cc(-c3ccc(F)cc3)ccn2)n1.Cn1ccc(Nc2cc(-c3ccc(F)cc3)ccn2)n1.Fc1ccc(-c2ccnc(Cl)c2)cc1.[Y]
InChIInChI=1S/C24H29FN4O2.C22H26FN5O2.C15H13FN4.C11H7ClFN.C4H6N3.Y/c1-3-31-24(30)8-6-4-5-7-16-29(22-14-17-28(2)27-22)23-18-20(13-15-26-23)19-9-11-21(25)12-10-19;1-27-15-12-20(25-27)28(14-5-3-2-4-6-22(29)26-30)21-16-18(11-13-24-21)17-7-9-19(23)10-8-17;1-20-9-7-14(19-20)18-15-10-12(6-8-17-15)11-2-4-13(16)5-3-11;12-11-7-9(5-6-14-11)8-1-3-10(13)4-2-8;1-7-3-2-4(5)6-7;/h9-15,17-18H,3-8,16H2,1-2H3;7-13,15-16,30H,2-6,14H2,1H3,(H,26,29);2-10H,1H3,(H,17,18,19);1-7H;3H,1H3,(H2,5,6);/q;;;;+1;
InChIKeyOBNWJTRJMDOLOF-UHFFFAOYSA-N
MW1496.95 g/mol
LogP15.91
Rot. Bonds25

About 2-chloro-4-(4-fluorophenyl)pyridine;ethyl 7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]heptanoate;4-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)pyridin-2-amine;7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyheptanamide;1-methyl-4H-pyrazol-4-ylium-3-amine;yttrium

2-chloro-4-(4-fluorophenyl)pyridine;ethyl 7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]heptanoate;4-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)pyridin-2-amine;7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyheptanamide;1-methyl-4H-pyrazol-4-ylium-3-amine;yttrium (PubChem CID 159946398) has the molecular formula C76H81ClF4N17O4Y+ and a molecular weight of 1496.95 g/mol. Its IUPAC name is 2-chloro-4-(4-fluorophenyl)pyridine;ethyl 7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]heptanoate;4-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)pyridin-2-amine;7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyheptanamide;1-methyl-4H-pyrazol-4-ylium-3-amine;yttrium.

Molecular Properties

Compound Name2-chloro-4-(4-fluorophenyl)pyridine;ethyl 7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]heptanoate;4-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)pyridin-2-amine;7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyheptanamide;1-methyl-4H-pyrazol-4-ylium-3-amine;yttrium
PubChem CID159946398
Molecular FormulaC76H81ClF4N17O4Y+
Molecular Weight1496.95 g/mol
Exact Mass1495.53
IUPAC Name2-chloro-4-(4-fluorophenyl)pyridine;ethyl 7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]heptanoate;4-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)pyridin-2-amine;7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyheptanamide;1-methyl-4H-pyrazol-4-ylium-3-amine;yttrium
SMILESCCOC(=O)CCCCCCN(c1cc(-c2ccc(F)cc2)ccn1)c1ccn(C)n1.CN1C=[C+]C(N)=N1.Cn1ccc(N(CCCCCCC(=O)NO)c2cc(-c3ccc(F)cc3)ccn2)n1.Cn1ccc(Nc2cc(-c3ccc(F)cc3)ccn2)n1.Fc1ccc(-c2ccnc(Cl)c2)cc1.[Y]
InChIInChI=1S/C24H29FN4O2.C22H26FN5O2.C15H13FN4.C11H7ClFN.C4H6N3.Y/c1-3-31-24(30)8-6-4-5-7-16-29(22-14-17-28(2)27-22)23-18-20(13-15-26-23)19-9-11-21(25)12-10-19;1-27-15-12-20(25-27)28(14-5-3-2-4-6-22(29)26-30)21-16-18(11-13-24-21)17-7-9-19(23)10-8-17;1-20-9-7-14(19-20)18-15-10-12(6-8-17-15)11-2-4-13(16)5-3-11;12-11-7-9(5-6-14-11)8-1-3-10(13)4-2-8;1-7-3-2-4(5)6-7;/h9-15,17-18H,3-8,16H2,1-2H3;7-13,15-16,30H,2-6,14H2,1H3,(H,26,29);2-10H,1H3,(H,17,18,19);1-7H;3H,1H3,(H2,5,6);/q;;;;+1;
InChIKeyOBNWJTRJMDOLOF-UHFFFAOYSA-N
XLogP15.91
TPSA240.78 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds25
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001496.95
LogP ≤ 515.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-chloro-4-(4-fluorophenyl)pyridine;ethyl 7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]heptanoate;4-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)pyridin-2-amine;7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyheptanamide;1-methyl-4H-pyrazol-4-ylium-3-amine;yttrium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-fluorophenyl)pyridine;ethyl 7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]heptanoate;4-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)pyridin-2-amine;7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyheptanamide;1-methyl-4H-pyrazol-4-ylium-3-amine;yttrium?
The IUPAC name of 2-chloro-4-(4-fluorophenyl)pyridine;ethyl 7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]heptanoate;4-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)pyridin-2-amine;7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyheptanamide;1-methyl-4H-pyrazol-4-ylium-3-amine;yttrium (CID 159946398) is 2-chloro-4-(4-fluorophenyl)pyridine;ethyl 7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]heptanoate;4-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)pyridin-2-amine;7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyheptanamide;1-methyl-4H-pyrazol-4-ylium-3-amine;yttrium.
What is the SMILES notation for 2-chloro-4-(4-fluorophenyl)pyridine;ethyl 7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]heptanoate;4-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)pyridin-2-amine;7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyheptanamide;1-methyl-4H-pyrazol-4-ylium-3-amine;yttrium?
The canonical SMILES for 2-chloro-4-(4-fluorophenyl)pyridine;ethyl 7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]heptanoate;4-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)pyridin-2-amine;7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyheptanamide;1-methyl-4H-pyrazol-4-ylium-3-amine;yttrium is CCOC(=O)CCCCCCN(c1cc(-c2ccc(F)cc2)ccn1)c1ccn(C)n1.CN1C=[C+]C(N)=N1.Cn1ccc(N(CCCCCCC(=O)NO)c2cc(-c3ccc(F)cc3)ccn2)n1.Cn1ccc(Nc2cc(-c3ccc(F)cc3)ccn2)n1.Fc1ccc(-c2ccnc(Cl)c2)cc1.[Y].
What is the InChIKey of 2-chloro-4-(4-fluorophenyl)pyridine;ethyl 7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]heptanoate;4-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)pyridin-2-amine;7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyheptanamide;1-methyl-4H-pyrazol-4-ylium-3-amine;yttrium?
The InChIKey is OBNWJTRJMDOLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O2.C22H26FN5O2.C15H13FN4.C11H7ClFN.C4H6N3.Y/c1-3-31-24(30)8-6-4-5-7-16-29(22-14-17-28(2)27-22)23-18-20(13-15-26-23)19-9-11-21(25)12-10-19;1-27-15-12-20(25-27)28(14-5-3-2-4-6-22(29)26-30)21-16-18(11-13-24-21)17-7-9-19(23)10-8-17;1-20-9-7-14(19-20)18-15-10-12(6-8-17-15)11-2-4-13(16)5-3-11;12-11-7-9(5-6-14-11)8-1-3-10(13)4-2-8;1-7-3-2-4(5)6-7;/h9-15,17-18H,3-8,16H2,1-2H3;7-13,15-16,30H,2-6,14H2,1H3,(H,26,29);2-10H,1H3,(H,17,18,19);1-7H;3H,1H3,(H2,5,6);/q;;;;+1;.
What are the key properties of 2-chloro-4-(4-fluorophenyl)pyridine;ethyl 7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]heptanoate;4-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)pyridin-2-amine;7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyheptanamide;1-methyl-4H-pyrazol-4-ylium-3-amine;yttrium?
2-chloro-4-(4-fluorophenyl)pyridine;ethyl 7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]heptanoate;4-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)pyridin-2-amine;7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyheptanamide;1-methyl-4H-pyrazol-4-ylium-3-amine;yttrium has a molecular weight of 1496.95 g/mol, XLogP of 15.91, 25 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-fluorophenyl)pyridine;ethyl 7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]heptanoate;4-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)pyridin-2-amine;7-[[4-(4-fluorophenyl)-2-pyridinyl]-(1-methylpyrazol-3-yl)amino]-N-hydroxyheptanamide;1-methyl-4H-pyrazol-4-ylium-3-amine;yttrium is sourced from PubChem (CID 159946398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).