2-[1-[1-(4-fluoro-2-methylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole

C20H16FN5S — CID 44589206

IUPAC2-[1-[1-(4-fluoro-2-methylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole
SMILESCc1cc(F)ccc1N1CCc2c(-n3ccc(-c4nccs4)n3)ccnc21
InChIInChI=1S/C20H16FN5S/c1-13-12-14(21)2-3-17(13)25-9-5-15-18(4-7-22-19(15)25)26-10-6-16(24-26)20-23-8-11-27-20/h2-4,6-8,10-12H,5,9H2,1H3
InChIKeySZBZLGMRUWHPDV-UHFFFAOYSA-N
MW377.45 g/mol
LogP4.53
Rot. Bonds3

About 2-[1-[1-(4-fluoro-2-methylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole

2-[1-[1-(4-fluoro-2-methylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole (PubChem CID 44589206) has the molecular formula C20H16FN5S and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-[1-[1-(4-fluoro-2-methylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[1-(4-fluoro-2-methylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole
PubChem CID44589206
Molecular FormulaC20H16FN5S
Molecular Weight377.45 g/mol
Exact Mass377.11
IUPAC Name2-[1-[1-(4-fluoro-2-methylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole
SMILESCc1cc(F)ccc1N1CCc2c(-n3ccc(-c4nccs4)n3)ccnc21
InChIInChI=1S/C20H16FN5S/c1-13-12-14(21)2-3-17(13)25-9-5-15-18(4-7-22-19(15)25)26-10-6-16(24-26)20-23-8-11-27-20/h2-4,6-8,10-12H,5,9H2,1H3
InChIKeySZBZLGMRUWHPDV-UHFFFAOYSA-N
XLogP4.53
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(4-fluoro-2-methylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole?
The IUPAC name of 2-[1-[1-(4-fluoro-2-methylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole (CID 44589206) is 2-[1-[1-(4-fluoro-2-methylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[1-(4-fluoro-2-methylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-[1-(4-fluoro-2-methylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole is Cc1cc(F)ccc1N1CCc2c(-n3ccc(-c4nccs4)n3)ccnc21.
What is the InChIKey of 2-[1-[1-(4-fluoro-2-methylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole?
The InChIKey is SZBZLGMRUWHPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5S/c1-13-12-14(21)2-3-17(13)25-9-5-15-18(4-7-22-19(15)25)26-10-6-16(24-26)20-23-8-11-27-20/h2-4,6-8,10-12H,5,9H2,1H3.
What are the key properties of 2-[1-[1-(4-fluoro-2-methylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole?
2-[1-[1-(4-fluoro-2-methylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole has a molecular weight of 377.45 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(4-fluoro-2-methylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole is sourced from PubChem (CID 44589206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).