2-(2,6-difluorophenyl)-4-(4-propan-2-yl-1,3-thiazol-2-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

C19H15F2N3OS — CID 126642368

IUPAC2-(2,6-difluorophenyl)-4-(4-propan-2-yl-1,3-thiazol-2-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCC(C)c1csc(-c2cc(-c3c(F)cccc3F)nc3c2C(=O)NC3)n1
InChIInChI=1S/C19H15F2N3OS/c1-9(2)15-8-26-19(24-15)10-6-13(17-11(20)4-3-5-12(17)21)23-14-7-22-18(25)16(10)14/h3-6,8-9H,7H2,1-2H3,(H,22,25)
InChIKeyDRPHJFXZMVAXPG-UHFFFAOYSA-N
MW371.41 g/mol
LogP4.52
Rot. Bonds3

About 2-(2,6-difluorophenyl)-4-(4-propan-2-yl-1,3-thiazol-2-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

2-(2,6-difluorophenyl)-4-(4-propan-2-yl-1,3-thiazol-2-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 126642368) has the molecular formula C19H15F2N3OS and a molecular weight of 371.41 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-(4-propan-2-yl-1,3-thiazol-2-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-(4-propan-2-yl-1,3-thiazol-2-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
PubChem CID126642368
Molecular FormulaC19H15F2N3OS
Molecular Weight371.41 g/mol
Exact Mass371.09
IUPAC Name2-(2,6-difluorophenyl)-4-(4-propan-2-yl-1,3-thiazol-2-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCC(C)c1csc(-c2cc(-c3c(F)cccc3F)nc3c2C(=O)NC3)n1
InChIInChI=1S/C19H15F2N3OS/c1-9(2)15-8-26-19(24-15)10-6-13(17-11(20)4-3-5-12(17)21)23-14-7-22-18(25)16(10)14/h3-6,8-9H,7H2,1-2H3,(H,22,25)
InChIKeyDRPHJFXZMVAXPG-UHFFFAOYSA-N
XLogP4.52
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-(4-propan-2-yl-1,3-thiazol-2-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-(2,6-difluorophenyl)-4-(4-propan-2-yl-1,3-thiazol-2-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 126642368) is 2-(2,6-difluorophenyl)-4-(4-propan-2-yl-1,3-thiazol-2-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-(4-propan-2-yl-1,3-thiazol-2-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-(4-propan-2-yl-1,3-thiazol-2-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is CC(C)c1csc(-c2cc(-c3c(F)cccc3F)nc3c2C(=O)NC3)n1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-(4-propan-2-yl-1,3-thiazol-2-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The InChIKey is DRPHJFXZMVAXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3OS/c1-9(2)15-8-26-19(24-15)10-6-13(17-11(20)4-3-5-12(17)21)23-14-7-22-18(25)16(10)14/h3-6,8-9H,7H2,1-2H3,(H,22,25).
What are the key properties of 2-(2,6-difluorophenyl)-4-(4-propan-2-yl-1,3-thiazol-2-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
2-(2,6-difluorophenyl)-4-(4-propan-2-yl-1,3-thiazol-2-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 371.41 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-(4-propan-2-yl-1,3-thiazol-2-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 126642368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).