5-methyl-1-phenyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrazole-4-carboxamide

C23H17N5OS — CID 121024439

IUPAC5-methyl-1-phenyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(-c3nc4cccnc4s3)cc2)cnn1-c1ccccc1
InChIInChI=1S/C23H17N5OS/c1-15-19(14-25-28(15)18-6-3-2-4-7-18)21(29)26-17-11-9-16(10-12-17)22-27-20-8-5-13-24-23(20)30-22/h2-14H,1H3,(H,26,29)
InChIKeyAKMWTDMJFCKOIA-UHFFFAOYSA-N
MW411.49 g/mol
LogP5.10
Rot. Bonds4

About 5-methyl-1-phenyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrazole-4-carboxamide

5-methyl-1-phenyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrazole-4-carboxamide (PubChem CID 121024439) has the molecular formula C23H17N5OS and a molecular weight of 411.49 g/mol. Its IUPAC name is 5-methyl-1-phenyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-phenyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrazole-4-carboxamide
PubChem CID121024439
Molecular FormulaC23H17N5OS
Molecular Weight411.49 g/mol
Exact Mass411.12
IUPAC Name5-methyl-1-phenyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(-c3nc4cccnc4s3)cc2)cnn1-c1ccccc1
InChIInChI=1S/C23H17N5OS/c1-15-19(14-25-28(15)18-6-3-2-4-7-18)21(29)26-17-11-9-16(10-12-17)22-27-20-8-5-13-24-23(20)30-22/h2-14H,1H3,(H,26,29)
InChIKeyAKMWTDMJFCKOIA-UHFFFAOYSA-N
XLogP5.10
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.49
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
CID 121024375
2,4-dimethyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 121024374
N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 41482979
2-nitro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 7141317
5-methyl-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide
CID 17464539
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 24598852
2-phenoxy-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 3397110
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108743569
3,5-dichloro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 121024338
5-methyl-1-phenyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375534
5-methyl-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-4-carboxamide
CID 41420930
2-(benzimidazol-1-yl)-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024411

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1-phenyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrazole-4-carboxamide (CID 121024439) is 5-methyl-1-phenyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-phenyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-phenyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(-c3nc4cccnc4s3)cc2)cnn1-c1ccccc1.
What is the InChIKey of 5-methyl-1-phenyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrazole-4-carboxamide?
The InChIKey is AKMWTDMJFCKOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5OS/c1-15-19(14-25-28(15)18-6-3-2-4-7-18)21(29)26-17-11-9-16(10-12-17)22-27-20-8-5-13-24-23(20)30-22/h2-14H,1H3,(H,26,29).
What are the key properties of 5-methyl-1-phenyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrazole-4-carboxamide?
5-methyl-1-phenyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrazole-4-carboxamide has a molecular weight of 411.49 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 121024439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).