2-[1-[1-(4-methoxy-2-methylphenyl)-6-methylpyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole

C22H19N5OS — CID 25150449

IUPAC2-[1-[1-(4-methoxy-2-methylphenyl)-6-methylpyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole
SMILESCOc1ccc(-n2ccc3c(-n4ccc(-c5nccs5)n4)cc(C)nc32)c(C)c1
InChIInChI=1S/C22H19N5OS/c1-14-12-16(28-3)4-5-19(14)26-9-6-17-20(13-15(2)24-21(17)26)27-10-7-18(25-27)22-23-8-11-29-22/h4-13H,1-3H3
InChIKeyWEIVYTPGBWNIDY-UHFFFAOYSA-N
MW401.50 g/mol
LogP4.96
Rot. Bonds4

About 2-[1-[1-(4-methoxy-2-methylphenyl)-6-methylpyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole

2-[1-[1-(4-methoxy-2-methylphenyl)-6-methylpyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole (PubChem CID 25150449) has the molecular formula C22H19N5OS and a molecular weight of 401.50 g/mol. Its IUPAC name is 2-[1-[1-(4-methoxy-2-methylphenyl)-6-methylpyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[1-(4-methoxy-2-methylphenyl)-6-methylpyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole
PubChem CID25150449
Molecular FormulaC22H19N5OS
Molecular Weight401.50 g/mol
Exact Mass401.13
IUPAC Name2-[1-[1-(4-methoxy-2-methylphenyl)-6-methylpyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole
SMILESCOc1ccc(-n2ccc3c(-n4ccc(-c5nccs5)n4)cc(C)nc32)c(C)c1
InChIInChI=1S/C22H19N5OS/c1-14-12-16(28-3)4-5-19(14)26-9-6-17-20(13-15(2)24-21(17)26)27-10-7-18(25-27)22-23-8-11-29-22/h4-13H,1-3H3
InChIKeyWEIVYTPGBWNIDY-UHFFFAOYSA-N
XLogP4.96
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.50
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(4-methoxy-2-methylphenyl)-6-methylpyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole?
The IUPAC name of 2-[1-[1-(4-methoxy-2-methylphenyl)-6-methylpyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole (CID 25150449) is 2-[1-[1-(4-methoxy-2-methylphenyl)-6-methylpyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[1-(4-methoxy-2-methylphenyl)-6-methylpyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-[1-(4-methoxy-2-methylphenyl)-6-methylpyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole is COc1ccc(-n2ccc3c(-n4ccc(-c5nccs5)n4)cc(C)nc32)c(C)c1.
What is the InChIKey of 2-[1-[1-(4-methoxy-2-methylphenyl)-6-methylpyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole?
The InChIKey is WEIVYTPGBWNIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5OS/c1-14-12-16(28-3)4-5-19(14)26-9-6-17-20(13-15(2)24-21(17)26)27-10-7-18(25-27)22-23-8-11-29-22/h4-13H,1-3H3.
What are the key properties of 2-[1-[1-(4-methoxy-2-methylphenyl)-6-methylpyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole?
2-[1-[1-(4-methoxy-2-methylphenyl)-6-methylpyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole has a molecular weight of 401.50 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(4-methoxy-2-methylphenyl)-6-methylpyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole is sourced from PubChem (CID 25150449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).