2,5-dichloro-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]thiophene-3-carboxamide

C16H14Cl2N4OS — CID 55801093

IUPAC2,5-dichloro-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]thiophene-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(CNC(=O)c3cc(Cl)sc3Cl)cn2)n1
InChIInChI=1S/C16H14Cl2N4OS/c1-9-5-10(2)22(21-9)14-4-3-11(7-19-14)8-20-16(23)12-6-13(17)24-15(12)18/h3-7H,8H2,1-2H3,(H,20,23)
InChIKeyNYPUMNFVOPQSOW-UHFFFAOYSA-N
MW381.29 g/mol
LogP4.18
Rot. Bonds4

About 2,5-dichloro-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]thiophene-3-carboxamide

2,5-dichloro-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]thiophene-3-carboxamide (PubChem CID 55801093) has the molecular formula C16H14Cl2N4OS and a molecular weight of 381.29 g/mol. Its IUPAC name is 2,5-dichloro-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]thiophene-3-carboxamide
PubChem CID55801093
Molecular FormulaC16H14Cl2N4OS
Molecular Weight381.29 g/mol
Exact Mass380.03
IUPAC Name2,5-dichloro-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]thiophene-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(CNC(=O)c3cc(Cl)sc3Cl)cn2)n1
InChIInChI=1S/C16H14Cl2N4OS/c1-9-5-10(2)22(21-9)14-4-3-11(7-19-14)8-20-16(23)12-6-13(17)24-15(12)18/h3-7H,8H2,1-2H3,(H,20,23)
InChIKeyNYPUMNFVOPQSOW-UHFFFAOYSA-N
XLogP4.18
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.29
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]thiophene-3-carboxamide
CID 51112319
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 47049114
1-cyclohexyl-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 55969112
3-(2,4-difluorophenyl)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-methylpyrazole-4-carboxamide
CID 86948198
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 55859680
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methoxypyridine-4-carboxamide
CID 99810655
2-(aminomethyl)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119848605
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 55858015
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 126767913
1-benzyl-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 112836143
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78890714
1-amino-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119848586

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]thiophene-3-carboxamide (CID 55801093) is 2,5-dichloro-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]thiophene-3-carboxamide is Cc1cc(C)n(-c2ccc(CNC(=O)c3cc(Cl)sc3Cl)cn2)n1.
What is the InChIKey of 2,5-dichloro-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]thiophene-3-carboxamide?
The InChIKey is NYPUMNFVOPQSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4OS/c1-9-5-10(2)22(21-9)14-4-3-11(7-19-14)8-20-16(23)12-6-13(17)24-15(12)18/h3-7H,8H2,1-2H3,(H,20,23).
What are the key properties of 2,5-dichloro-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]thiophene-3-carboxamide?
2,5-dichloro-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]thiophene-3-carboxamide has a molecular weight of 381.29 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 55801093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).