5-(3-methyl-4-pyridinyl)-N-(1-quinoxalin-2-ylpyrazol-4-yl)thiophene-2-carboxamide

C22H16N6OS — CID 166218458

IUPAC5-(3-methyl-4-pyridinyl)-N-(1-quinoxalin-2-ylpyrazol-4-yl)thiophene-2-carboxamide
SMILESCc1cnccc1-c1ccc(C(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)s1
InChIInChI=1S/C22H16N6OS/c1-14-10-23-9-8-16(14)19-6-7-20(30-19)22(29)26-15-11-25-28(13-15)21-12-24-17-4-2-3-5-18(17)27-21/h2-13H,1H3,(H,26,29)
InChIKeyUGPCEVMMUOZPEI-UHFFFAOYSA-N
MW412.48 g/mol
LogP4.50
Rot. Bonds4

About 5-(3-methyl-4-pyridinyl)-N-(1-quinoxalin-2-ylpyrazol-4-yl)thiophene-2-carboxamide

5-(3-methyl-4-pyridinyl)-N-(1-quinoxalin-2-ylpyrazol-4-yl)thiophene-2-carboxamide (PubChem CID 166218458) has the molecular formula C22H16N6OS and a molecular weight of 412.48 g/mol. Its IUPAC name is 5-(3-methyl-4-pyridinyl)-N-(1-quinoxalin-2-ylpyrazol-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-methyl-4-pyridinyl)-N-(1-quinoxalin-2-ylpyrazol-4-yl)thiophene-2-carboxamide
PubChem CID166218458
Molecular FormulaC22H16N6OS
Molecular Weight412.48 g/mol
Exact Mass412.11
IUPAC Name5-(3-methyl-4-pyridinyl)-N-(1-quinoxalin-2-ylpyrazol-4-yl)thiophene-2-carboxamide
SMILESCc1cnccc1-c1ccc(C(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)s1
InChIInChI=1S/C22H16N6OS/c1-14-10-23-9-8-16(14)19-6-7-20(30-19)22(29)26-15-11-25-28(13-15)21-12-24-17-4-2-3-5-18(17)27-21/h2-13H,1H3,(H,26,29)
InChIKeyUGPCEVMMUOZPEI-UHFFFAOYSA-N
XLogP4.50
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-fluorophenyl)-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide
CID 166218181
N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide
CID 166218469
N-(1-phenylpyrazol-4-yl)quinoxaline-2-carboxamide
CID 71884776
N-[1-(2-chlorophenyl)pyrazol-4-yl]pyrazine-2-carboxamide
CID 56782231
N-(1-pyridin-4-ylpyrazol-4-yl)benzamide
CID 110471191
3-hydroxy-N-(1-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide
CID 75510958
3-methyl-4-(5-methylthiophen-2-yl)pyridine
CID 163257476
N-[(2-chloro-4-iodophenyl)methyl]-5-(3-methyl-4-pyridinyl)thiophene-2-carboxamide
CID 155967003
N-[1-(2-chlorophenyl)pyrazol-4-yl]-5-fluoro-2-methylbenzamide
CID 86896466
N-(3,5-dimethylphenyl)-5-(1-methylbenzimidazol-2-yl)thiophene-2-carboxamide
CID 4731697
5-phenyl-N-[3-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]thiophene-2-carboxamide
CID 59680303
N-[4-(4-chloropyrazol-1-yl)phenyl]-5-methylthiophene-2-carboxamide
CID 39853112

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-4-pyridinyl)-N-(1-quinoxalin-2-ylpyrazol-4-yl)thiophene-2-carboxamide?
The IUPAC name of 5-(3-methyl-4-pyridinyl)-N-(1-quinoxalin-2-ylpyrazol-4-yl)thiophene-2-carboxamide (CID 166218458) is 5-(3-methyl-4-pyridinyl)-N-(1-quinoxalin-2-ylpyrazol-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(3-methyl-4-pyridinyl)-N-(1-quinoxalin-2-ylpyrazol-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-(3-methyl-4-pyridinyl)-N-(1-quinoxalin-2-ylpyrazol-4-yl)thiophene-2-carboxamide is Cc1cnccc1-c1ccc(C(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)s1.
What is the InChIKey of 5-(3-methyl-4-pyridinyl)-N-(1-quinoxalin-2-ylpyrazol-4-yl)thiophene-2-carboxamide?
The InChIKey is UGPCEVMMUOZPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6OS/c1-14-10-23-9-8-16(14)19-6-7-20(30-19)22(29)26-15-11-25-28(13-15)21-12-24-17-4-2-3-5-18(17)27-21/h2-13H,1H3,(H,26,29).
What are the key properties of 5-(3-methyl-4-pyridinyl)-N-(1-quinoxalin-2-ylpyrazol-4-yl)thiophene-2-carboxamide?
5-(3-methyl-4-pyridinyl)-N-(1-quinoxalin-2-ylpyrazol-4-yl)thiophene-2-carboxamide has a molecular weight of 412.48 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-4-pyridinyl)-N-(1-quinoxalin-2-ylpyrazol-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 166218458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).