4-[1-(difluoromethyl)-3-(dipyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole

C24H19F2N5O — CID 118059492

IUPAC4-[1-(difluoromethyl)-3-(dipyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1cnc2c(c1)c(C(c1ccccn1)c1ccccn1)cn2C(F)F
InChIInChI=1S/C24H19F2N5O/c1-14-21(15(2)32-30-14)16-11-17-18(13-31(24(25)26)23(17)29-12-16)22(19-7-3-5-9-27-19)20-8-4-6-10-28-20/h3-13,22,24H,1-2H3
InChIKeyWAMOUYLIYDGOBK-UHFFFAOYSA-N
MW431.45 g/mol
LogP5.67
Rot. Bonds5

About 4-[1-(difluoromethyl)-3-(dipyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole

4-[1-(difluoromethyl)-3-(dipyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 118059492) has the molecular formula C24H19F2N5O and a molecular weight of 431.45 g/mol. Its IUPAC name is 4-[1-(difluoromethyl)-3-(dipyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[1-(difluoromethyl)-3-(dipyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID118059492
Molecular FormulaC24H19F2N5O
Molecular Weight431.45 g/mol
Exact Mass431.16
IUPAC Name4-[1-(difluoromethyl)-3-(dipyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1cnc2c(c1)c(C(c1ccccn1)c1ccccn1)cn2C(F)F
InChIInChI=1S/C24H19F2N5O/c1-14-21(15(2)32-30-14)16-11-17-18(13-31(24(25)26)23(17)29-12-16)22(19-7-3-5-9-27-19)20-8-4-6-10-28-20/h3-13,22,24H,1-2H3
InChIKeyWAMOUYLIYDGOBK-UHFFFAOYSA-N
XLogP5.67
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.45
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[1-(difluoromethyl)-3-(dipyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-(difluoromethyl)-3-(dipyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[1-(difluoromethyl)-3-(dipyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole (CID 118059492) is 4-[1-(difluoromethyl)-3-(dipyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[1-(difluoromethyl)-3-(dipyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[1-(difluoromethyl)-3-(dipyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1cnc2c(c1)c(C(c1ccccn1)c1ccccn1)cn2C(F)F.
What is the InChIKey of 4-[1-(difluoromethyl)-3-(dipyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is WAMOUYLIYDGOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N5O/c1-14-21(15(2)32-30-14)16-11-17-18(13-31(24(25)26)23(17)29-12-16)22(19-7-3-5-9-27-19)20-8-4-6-10-28-20/h3-13,22,24H,1-2H3.
What are the key properties of 4-[1-(difluoromethyl)-3-(dipyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole?
4-[1-(difluoromethyl)-3-(dipyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 431.45 g/mol, XLogP of 5.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(difluoromethyl)-3-(dipyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 118059492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).