2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-thiophen-3-yl-1,3-thiazole-5-carboxamide;pyridine

C21H17N5OS2 — CID 160941778

IUPAC2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-thiophen-3-yl-1,3-thiazole-5-carboxamide;pyridine
SMILESCc1nn2ccccc2c1-c1nc(-c2ccsc2)c(C(N)=O)s1.c1ccncc1
InChIInChI=1S/C16H12N4OS2.C5H5N/c1-9-12(11-4-2-3-6-20(11)19-9)16-18-13(10-5-7-22-8-10)14(23-16)15(17)21;1-2-4-6-5-3-1/h2-8H,1H3,(H2,17,21);1-5H
InChIKeySUPINBQRAIZNSQ-UHFFFAOYSA-N
MW419.54 g/mol
LogP4.68
Rot. Bonds3

About 2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-thiophen-3-yl-1,3-thiazole-5-carboxamide;pyridine

2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-thiophen-3-yl-1,3-thiazole-5-carboxamide;pyridine (PubChem CID 160941778) has the molecular formula C21H17N5OS2 and a molecular weight of 419.54 g/mol. Its IUPAC name is 2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-thiophen-3-yl-1,3-thiazole-5-carboxamide;pyridine.

Molecular Properties

Compound Name2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-thiophen-3-yl-1,3-thiazole-5-carboxamide;pyridine
PubChem CID160941778
Molecular FormulaC21H17N5OS2
Molecular Weight419.54 g/mol
Exact Mass419.09
IUPAC Name2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-thiophen-3-yl-1,3-thiazole-5-carboxamide;pyridine
SMILESCc1nn2ccccc2c1-c1nc(-c2ccsc2)c(C(N)=O)s1.c1ccncc1
InChIInChI=1S/C16H12N4OS2.C5H5N/c1-9-12(11-4-2-3-6-20(11)19-9)16-18-13(10-5-7-22-8-10)14(23-16)15(17)21;1-2-4-6-5-3-1/h2-8H,1H3,(H2,17,21);1-5H
InChIKeySUPINBQRAIZNSQ-UHFFFAOYSA-N
XLogP4.68
TPSA86.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.54
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(furan-3-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide
CID 66855299
4-benzyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide
CID 66856056
4-ethoxy-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide
CID 66854651
4-cyclohexyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide
CID 66855548
2-(2-methylimidazo[1,2-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxamide;pyridine;hydrochloride
CID 159636120
4-(4-fluorophenyl)-N'-methanimidoyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboximidamide
CID 90913144
2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 66856088
2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 47120010
5-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-3-phenylthiophene-2-carboxylic acid
CID 58094953
2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 46865190
N'-methanimidoyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-phenylmethoxy-1,3-thiazole-5-carboximidamide
CID 90720203
(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone
CID 134026927

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-thiophen-3-yl-1,3-thiazole-5-carboxamide;pyridine?
The IUPAC name of 2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-thiophen-3-yl-1,3-thiazole-5-carboxamide;pyridine (CID 160941778) is 2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-thiophen-3-yl-1,3-thiazole-5-carboxamide;pyridine.
What is the SMILES notation for 2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-thiophen-3-yl-1,3-thiazole-5-carboxamide;pyridine?
The canonical SMILES for 2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-thiophen-3-yl-1,3-thiazole-5-carboxamide;pyridine is Cc1nn2ccccc2c1-c1nc(-c2ccsc2)c(C(N)=O)s1.c1ccncc1.
What is the InChIKey of 2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-thiophen-3-yl-1,3-thiazole-5-carboxamide;pyridine?
The InChIKey is SUPINBQRAIZNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4OS2.C5H5N/c1-9-12(11-4-2-3-6-20(11)19-9)16-18-13(10-5-7-22-8-10)14(23-16)15(17)21;1-2-4-6-5-3-1/h2-8H,1H3,(H2,17,21);1-5H.
What are the key properties of 2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-thiophen-3-yl-1,3-thiazole-5-carboxamide;pyridine?
2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-thiophen-3-yl-1,3-thiazole-5-carboxamide;pyridine has a molecular weight of 419.54 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-thiophen-3-yl-1,3-thiazole-5-carboxamide;pyridine is sourced from PubChem (CID 160941778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).