3,5-dimethyl-4-[3-methyl-4-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]phenyl]-1,2-oxazole

C25H22N6OS — CID 44589222

IUPAC3,5-dimethyl-4-[3-methyl-4-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]phenyl]-1,2-oxazole
SMILESCc1cc(-c2c(C)noc2C)ccc1N1CCc2c(-n3ccc(-c4nccs4)n3)ccnc21
InChIInChI=1S/C25H22N6OS/c1-15-14-18(23-16(2)29-32-17(23)3)4-5-21(15)30-11-7-19-22(6-9-26-24(19)30)31-12-8-20(28-31)25-27-10-13-33-25/h4-6,8-10,12-14H,7,11H2,1-3H3
InChIKeyGWQZJLMAYGIWEE-UHFFFAOYSA-N
MW454.56 g/mol
LogP5.67
Rot. Bonds4

About 3,5-dimethyl-4-[3-methyl-4-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]phenyl]-1,2-oxazole

3,5-dimethyl-4-[3-methyl-4-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]phenyl]-1,2-oxazole (PubChem CID 44589222) has the molecular formula C25H22N6OS and a molecular weight of 454.56 g/mol. Its IUPAC name is 3,5-dimethyl-4-[3-methyl-4-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]phenyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[3-methyl-4-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]phenyl]-1,2-oxazole
PubChem CID44589222
Molecular FormulaC25H22N6OS
Molecular Weight454.56 g/mol
Exact Mass454.16
IUPAC Name3,5-dimethyl-4-[3-methyl-4-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]phenyl]-1,2-oxazole
SMILESCc1cc(-c2c(C)noc2C)ccc1N1CCc2c(-n3ccc(-c4nccs4)n3)ccnc21
InChIInChI=1S/C25H22N6OS/c1-15-14-18(23-16(2)29-32-17(23)3)4-5-21(15)30-11-7-19-22(6-9-26-24(19)30)31-12-8-20(28-31)25-27-10-13-33-25/h4-6,8-10,12-14H,7,11H2,1-3H3
InChIKeyGWQZJLMAYGIWEE-UHFFFAOYSA-N
XLogP5.67
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.56
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3,5-dimethyl-4-[3-methyl-4-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]phenyl]-1,2-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[3-methyl-4-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]phenyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[3-methyl-4-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]phenyl]-1,2-oxazole (CID 44589222) is 3,5-dimethyl-4-[3-methyl-4-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]phenyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[3-methyl-4-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]phenyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[3-methyl-4-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]phenyl]-1,2-oxazole is Cc1cc(-c2c(C)noc2C)ccc1N1CCc2c(-n3ccc(-c4nccs4)n3)ccnc21.
What is the InChIKey of 3,5-dimethyl-4-[3-methyl-4-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]phenyl]-1,2-oxazole?
The InChIKey is GWQZJLMAYGIWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6OS/c1-15-14-18(23-16(2)29-32-17(23)3)4-5-21(15)30-11-7-19-22(6-9-26-24(19)30)31-12-8-20(28-31)25-27-10-13-33-25/h4-6,8-10,12-14H,7,11H2,1-3H3.
What are the key properties of 3,5-dimethyl-4-[3-methyl-4-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]phenyl]-1,2-oxazole?
3,5-dimethyl-4-[3-methyl-4-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]phenyl]-1,2-oxazole has a molecular weight of 454.56 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[3-methyl-4-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]phenyl]-1,2-oxazole is sourced from PubChem (CID 44589222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).