[3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

C33H24F2N4O — CID 58086640

IUPAC[3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESO=C(c1c(F)ccc(N(Cc2ccccc2)Cc2ccccc2)c1F)c1c[nH]c2ncc(-c3cccnc3)cc12
InChIInChI=1S/C33H24F2N4O/c34-28-13-14-29(39(20-22-8-3-1-4-9-22)21-23-10-5-2-6-11-23)31(35)30(28)32(40)27-19-38-33-26(27)16-25(18-37-33)24-12-7-15-36-17-24/h1-19H,20-21H2,(H,37,38)
InChIKeyNBAMMNBPYILMMO-UHFFFAOYSA-N
MW530.58 g/mol
LogP7.34
Rot. Bonds8

About [3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

[3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (PubChem CID 58086640) has the molecular formula C33H24F2N4O and a molecular weight of 530.58 g/mol. Its IUPAC name is [3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
PubChem CID58086640
Molecular FormulaC33H24F2N4O
Molecular Weight530.58 g/mol
Exact Mass530.19
IUPAC Name[3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESO=C(c1c(F)ccc(N(Cc2ccccc2)Cc2ccccc2)c1F)c1c[nH]c2ncc(-c3cccnc3)cc12
InChIInChI=1S/C33H24F2N4O/c34-28-13-14-29(39(20-22-8-3-1-4-9-22)21-23-10-5-2-6-11-23)31(35)30(28)32(40)27-19-38-33-26(27)16-25(18-37-33)24-12-7-15-36-17-24/h1-19H,20-21H2,(H,37,38)
InChIKeyNBAMMNBPYILMMO-UHFFFAOYSA-N
XLogP7.34
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.58
LogP ≤ 57.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone 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 [3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The IUPAC name of [3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (CID 58086640) is [3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.
What is the SMILES notation for [3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The canonical SMILES for [3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is O=C(c1c(F)ccc(N(Cc2ccccc2)Cc2ccccc2)c1F)c1c[nH]c2ncc(-c3cccnc3)cc12.
What is the InChIKey of [3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The InChIKey is NBAMMNBPYILMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24F2N4O/c34-28-13-14-29(39(20-22-8-3-1-4-9-22)21-23-10-5-2-6-11-23)31(35)30(28)32(40)27-19-38-33-26(27)16-25(18-37-33)24-12-7-15-36-17-24/h1-19H,20-21H2,(H,37,38).
What are the key properties of [3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
[3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone has a molecular weight of 530.58 g/mol, XLogP of 7.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is sourced from PubChem (CID 58086640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).