6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide

C100H74Cl2F6N20O4 — CID 157167414

IUPAC6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide
SMILESCc1cc(-c2ncccc2-c2ccc3c(cnn3CC(N)=O)c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3cnn(CC(N)=O)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3nn(CC(N)=O)cc3c2)ccc1F.Fc1cc(F)c(-c2ncccc2-c2ccc3ncnn3c2)cc1Cl.NC(=O)Cn1ncc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc21
InChIInChI=1S/3C21H17FN4O.C20H14ClFN4O.C17H9ClF2N4/c1-13-9-15(4-6-18(13)22)21-17(3-2-8-24-21)14-5-7-19-16(10-14)11-26(25-19)12-20(23)27;1-13-9-15(4-6-18(13)22)21-17(3-2-8-24-21)14-5-7-19-16(10-14)11-25-26(19)12-20(23)27;1-13-9-15(6-7-18(13)22)21-17(3-2-8-24-21)14-4-5-16-11-25-26(12-20(23)27)19(16)10-14;21-16-8-13(5-6-17(16)22)20-15(2-1-7-24-20)12-3-4-14-10-25-26(11-19(23)27)18(14)9-12;18-13-6-12(14(19)7-15(13)20)17-11(2-1-5-21-17)10-3-4-16-22-9-23-24(16)8-10/h3*2-11H,12H2,1H3,(H2,23,27);1-10H,11H2,(H2,23,27);1-9H
InChIKeyANBOBTGZRCTERG-UHFFFAOYSA-N
MW1804.72 g/mol
LogP19.53
Rot. Bonds18

About 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide

6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide (PubChem CID 157167414) has the molecular formula C100H74Cl2F6N20O4 and a molecular weight of 1804.72 g/mol. Its IUPAC name is 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide.

Molecular Properties

Compound Name6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide
PubChem CID157167414
Molecular FormulaC100H74Cl2F6N20O4
Molecular Weight1804.72 g/mol
Exact Mass1802.55
IUPAC Name6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide
SMILESCc1cc(-c2ncccc2-c2ccc3c(cnn3CC(N)=O)c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3cnn(CC(N)=O)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3nn(CC(N)=O)cc3c2)ccc1F.Fc1cc(F)c(-c2ncccc2-c2ccc3ncnn3c2)cc1Cl.NC(=O)Cn1ncc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc21
InChIInChI=1S/3C21H17FN4O.C20H14ClFN4O.C17H9ClF2N4/c1-13-9-15(4-6-18(13)22)21-17(3-2-8-24-21)14-5-7-19-16(10-14)11-26(25-19)12-20(23)27;1-13-9-15(4-6-18(13)22)21-17(3-2-8-24-21)14-5-7-19-16(10-14)11-25-26(19)12-20(23)27;1-13-9-15(6-7-18(13)22)21-17(3-2-8-24-21)14-4-5-16-11-25-26(12-20(23)27)19(16)10-14;21-16-8-13(5-6-17(16)22)20-15(2-1-7-24-20)12-3-4-14-10-25-26(11-19(23)27)18(14)9-12;18-13-6-12(14(19)7-15(13)20)17-11(2-1-5-21-17)10-3-4-16-22-9-23-24(16)8-10/h3*2-11H,12H2,1H3,(H2,23,27);1-10H,11H2,(H2,23,27);1-9H
InChIKeyANBOBTGZRCTERG-UHFFFAOYSA-N
XLogP19.53
TPSA338.28 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds18
Heavy Atoms132
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001804.72
LogP ≤ 519.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide?
The IUPAC name of 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide (CID 157167414) is 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide.
What is the SMILES notation for 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide?
The canonical SMILES for 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide is Cc1cc(-c2ncccc2-c2ccc3c(cnn3CC(N)=O)c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3cnn(CC(N)=O)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3nn(CC(N)=O)cc3c2)ccc1F.Fc1cc(F)c(-c2ncccc2-c2ccc3ncnn3c2)cc1Cl.NC(=O)Cn1ncc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc21.
What is the InChIKey of 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide?
The InChIKey is ANBOBTGZRCTERG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C21H17FN4O.C20H14ClFN4O.C17H9ClF2N4/c1-13-9-15(4-6-18(13)22)21-17(3-2-8-24-21)14-5-7-19-16(10-14)11-26(25-19)12-20(23)27;1-13-9-15(4-6-18(13)22)21-17(3-2-8-24-21)14-5-7-19-16(10-14)11-25-26(19)12-20(23)27;1-13-9-15(6-7-18(13)22)21-17(3-2-8-24-21)14-4-5-16-11-25-26(12-20(23)27)19(16)10-14;21-16-8-13(5-6-17(16)22)20-15(2-1-7-24-20)12-3-4-14-10-25-26(11-19(23)27)18(14)9-12;18-13-6-12(14(19)7-15(13)20)17-11(2-1-5-21-17)10-3-4-16-22-9-23-24(16)8-10/h3*2-11H,12H2,1H3,(H2,23,27);1-10H,11H2,(H2,23,27);1-9H.
What are the key properties of 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide?
6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide has a molecular weight of 1804.72 g/mol, XLogP of 19.53, 18 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide is sourced from PubChem (CID 157167414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).