N-(5-chloro-3-fluoro-2-pyridinyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(2-chlorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(3,5-difluoro-4-pyridinyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(2-fluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-2-pyridinyl)thiophene-2-carboxamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide

C122H84Cl2F12N22O6S6 — CID 162164826

IUPACN-(5-chloro-3-fluoro-2-pyridinyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(2-chlorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(3,5-difluoro-4-pyridinyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(2-fluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-2-pyridinyl)thiophene-2-carboxamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide
SMILESCn1nc(-c2ccccc2F)cc1-c1ccc(C(=O)Nc2c(F)cncc2F)s1.Cn1nc(-c2ccccc2F)cc1-c1ccc(C(=O)Nc2ccccc2Cl)s1.Cn1nc(-c2ccccc2F)cc1-c1ccc(C(=O)Nc2ccccc2F)s1.Cn1nc(-c2ccccc2F)cc1-c1ccc(C(=O)Nc2ccncc2F)s1.Cn1nc(-c2ccccc2F)cc1-c1ccc(C(=O)Nc2ncc(Cl)cc2F)s1.Cn1nc(-c2ccccc2F)cc1-c1ccc(C(=O)Nc2ncccc2F)s1
InChIInChI=1S/C21H15ClFN3OS.C21H15F2N3OS.C20H13ClF2N4OS.C20H13F3N4OS.2C20H14F2N4OS/c1-26-18(12-17(25-26)13-6-2-4-8-15(13)23)19-10-11-20(28-19)21(27)24-16-9-5-3-7-14(16)22;1-26-18(12-17(25-26)13-6-2-3-7-14(13)22)19-10-11-20(28-19)21(27)24-16-9-5-4-8-15(16)23;1-27-16(9-15(26-27)12-4-2-3-5-13(12)22)17-6-7-18(29-17)20(28)25-19-14(23)8-11(21)10-24-19;1-27-16(8-15(26-27)11-4-2-3-5-12(11)21)17-6-7-18(29-17)20(28)25-19-13(22)9-24-10-14(19)23;1-26-16(11-15(25-26)12-5-2-3-6-13(12)21)17-8-9-18(28-17)20(27)24-19-14(22)7-4-10-23-19;1-26-17(10-16(25-26)12-4-2-3-5-13(12)21)18-6-7-19(28-18)20(27)24-15-8-9-23-11-14(15)22/h2*2-12H,1H3,(H,24,27);2*2-10H,1H3,(H,24,25,28);2*2-11H,1H3,(H,23,24,27)
InChIKeyZMZCXVLDUKHQCO-UHFFFAOYSA-N
MW2445.45 g/mol
LogP30.96
Rot. Bonds24

About N-(5-chloro-3-fluoro-2-pyridinyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(2-chlorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(3,5-difluoro-4-pyridinyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(2-fluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-2-pyridinyl)thiophene-2-carboxamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide

N-(5-chloro-3-fluoro-2-pyridinyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(2-chlorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(3,5-difluoro-4-pyridinyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(2-fluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-2-pyridinyl)thiophene-2-carboxamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide (PubChem CID 162164826) has the molecular formula C122H84Cl2F12N22O6S6 and a molecular weight of 2445.45 g/mol. Its IUPAC name is N-(5-chloro-3-fluoro-2-pyridinyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(2-chlorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(3,5-difluoro-4-pyridinyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(2-fluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-2-pyridinyl)thiophene-2-carboxamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-3-fluoro-2-pyridinyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(2-chlorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(3,5-difluoro-4-pyridinyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(2-fluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-2-pyridinyl)thiophene-2-carboxamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide
PubChem CID162164826
Molecular FormulaC122H84Cl2F12N22O6S6
Molecular Weight2445.45 g/mol
Exact Mass2442.45
IUPAC NameN-(5-chloro-3-fluoro-2-pyridinyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(2-chlorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(3,5-difluoro-4-pyridinyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(2-fluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-2-pyridinyl)thiophene-2-carboxamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide
SMILESCn1nc(-c2ccccc2F)cc1-c1ccc(C(=O)Nc2c(F)cncc2F)s1.Cn1nc(-c2ccccc2F)cc1-c1ccc(C(=O)Nc2ccccc2Cl)s1.Cn1nc(-c2ccccc2F)cc1-c1ccc(C(=O)Nc2ccccc2F)s1.Cn1nc(-c2ccccc2F)cc1-c1ccc(C(=O)Nc2ccncc2F)s1.Cn1nc(-c2ccccc2F)cc1-c1ccc(C(=O)Nc2ncc(Cl)cc2F)s1.Cn1nc(-c2ccccc2F)cc1-c1ccc(C(=O)Nc2ncccc2F)s1
InChIInChI=1S/C21H15ClFN3OS.C21H15F2N3OS.C20H13ClF2N4OS.C20H13F3N4OS.2C20H14F2N4OS/c1-26-18(12-17(25-26)13-6-2-4-8-15(13)23)19-10-11-20(28-19)21(27)24-16-9-5-3-7-14(16)22;1-26-18(12-17(25-26)13-6-2-3-7-14(13)22)19-10-11-20(28-19)21(27)24-16-9-5-4-8-15(16)23;1-27-16(9-15(26-27)12-4-2-3-5-13(12)22)17-6-7-18(29-17)20(28)25-19-14(23)8-11(21)10-24-19;1-27-16(8-15(26-27)11-4-2-3-5-12(11)21)17-6-7-18(29-17)20(28)25-19-13(22)9-24-10-14(19)23;1-26-16(11-15(25-26)12-5-2-3-6-13(12)21)17-8-9-18(28-17)20(27)24-19-14(22)7-4-10-23-19;1-26-17(10-16(25-26)12-4-2-3-5-13(12)21)18-6-7-19(28-18)20(27)24-15-8-9-23-11-14(15)22/h2*2-12H,1H3,(H,24,27);2*2-10H,1H3,(H,24,25,28);2*2-11H,1H3,(H,23,24,27)
InChIKeyZMZCXVLDUKHQCO-UHFFFAOYSA-N
XLogP30.96
TPSA333.08 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds24
Heavy Atoms170
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002445.45
LogP ≤ 530.96
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Analyze N-(5-chloro-3-fluoro-2-pyridinyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(2-chlorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(3,5-difluoro-4-pyridinyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(2-fluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-2-pyridinyl)thiophene-2-carboxamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-3-fluoro-2-pyridinyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(2-chlorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(3,5-difluoro-4-pyridinyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(2-fluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-2-pyridinyl)thiophene-2-carboxamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of N-(5-chloro-3-fluoro-2-pyridinyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(2-chlorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(3,5-difluoro-4-pyridinyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(2-fluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-2-pyridinyl)thiophene-2-carboxamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide (CID 162164826) is N-(5-chloro-3-fluoro-2-pyridinyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(2-chlorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(3,5-difluoro-4-pyridinyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(2-fluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-2-pyridinyl)thiophene-2-carboxamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(5-chloro-3-fluoro-2-pyridinyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(2-chlorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(3,5-difluoro-4-pyridinyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(2-fluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-2-pyridinyl)thiophene-2-carboxamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for N-(5-chloro-3-fluoro-2-pyridinyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(2-chlorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(3,5-difluoro-4-pyridinyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(2-fluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-2-pyridinyl)thiophene-2-carboxamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide is Cn1nc(-c2ccccc2F)cc1-c1ccc(C(=O)Nc2c(F)cncc2F)s1.Cn1nc(-c2ccccc2F)cc1-c1ccc(C(=O)Nc2ccccc2Cl)s1.Cn1nc(-c2ccccc2F)cc1-c1ccc(C(=O)Nc2ccccc2F)s1.Cn1nc(-c2ccccc2F)cc1-c1ccc(C(=O)Nc2ccncc2F)s1.Cn1nc(-c2ccccc2F)cc1-c1ccc(C(=O)Nc2ncc(Cl)cc2F)s1.Cn1nc(-c2ccccc2F)cc1-c1ccc(C(=O)Nc2ncccc2F)s1.
What is the InChIKey of N-(5-chloro-3-fluoro-2-pyridinyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(2-chlorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(3,5-difluoro-4-pyridinyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(2-fluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-2-pyridinyl)thiophene-2-carboxamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide?
The InChIKey is ZMZCXVLDUKHQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN3OS.C21H15F2N3OS.C20H13ClF2N4OS.C20H13F3N4OS.2C20H14F2N4OS/c1-26-18(12-17(25-26)13-6-2-4-8-15(13)23)19-10-11-20(28-19)21(27)24-16-9-5-3-7-14(16)22;1-26-18(12-17(25-26)13-6-2-3-7-14(13)22)19-10-11-20(28-19)21(27)24-16-9-5-4-8-15(16)23;1-27-16(9-15(26-27)12-4-2-3-5-13(12)22)17-6-7-18(29-17)20(28)25-19-14(23)8-11(21)10-24-19;1-27-16(8-15(26-27)11-4-2-3-5-12(11)21)17-6-7-18(29-17)20(28)25-19-13(22)9-24-10-14(19)23;1-26-16(11-15(25-26)12-5-2-3-6-13(12)21)17-8-9-18(28-17)20(27)24-19-14(22)7-4-10-23-19;1-26-17(10-16(25-26)12-4-2-3-5-13(12)21)18-6-7-19(28-18)20(27)24-15-8-9-23-11-14(15)22/h2*2-12H,1H3,(H,24,27);2*2-10H,1H3,(H,24,25,28);2*2-11H,1H3,(H,23,24,27).
What are the key properties of N-(5-chloro-3-fluoro-2-pyridinyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(2-chlorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(3,5-difluoro-4-pyridinyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(2-fluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-2-pyridinyl)thiophene-2-carboxamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide?
N-(5-chloro-3-fluoro-2-pyridinyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(2-chlorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(3,5-difluoro-4-pyridinyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(2-fluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-2-pyridinyl)thiophene-2-carboxamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide has a molecular weight of 2445.45 g/mol, XLogP of 30.96, 24 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-3-fluoro-2-pyridinyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(2-chlorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(3,5-difluoro-4-pyridinyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;N-(2-fluorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-2-pyridinyl)thiophene-2-carboxamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-N-(3-fluoro-4-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 162164826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).