3-(difluoromethoxy)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline

C15H13F2N3O — CID 66416795

IUPAC3-(difluoromethoxy)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
SMILESFC(F)Oc1cccc(NCc2c[nH]c3ncccc23)c1
InChIInChI=1S/C15H13F2N3O/c16-15(17)21-12-4-1-3-11(7-12)19-8-10-9-20-14-13(10)5-2-6-18-14/h1-7,9,15,19H,8H2,(H,18,20)
InChIKeyJANQKPOHAPOCJG-UHFFFAOYSA-N
MW289.29 g/mol
LogP3.78
Rot. Bonds5

About 3-(difluoromethoxy)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline

3-(difluoromethoxy)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline (PubChem CID 66416795) has the molecular formula C15H13F2N3O and a molecular weight of 289.29 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
PubChem CID66416795
Molecular FormulaC15H13F2N3O
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name3-(difluoromethoxy)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
SMILESFC(F)Oc1cccc(NCc2c[nH]c3ncccc23)c1
InChIInChI=1S/C15H13F2N3O/c16-15(17)21-12-4-1-3-11(7-12)19-8-10-9-20-14-13(10)5-2-6-18-14/h1-7,9,15,19H,8H2,(H,18,20)
InChIKeyJANQKPOHAPOCJG-UHFFFAOYSA-N
XLogP3.78
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(difluoromethoxy)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline with MolForge

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

Launch Full Analysis

Related Compounds

3-(difluoromethoxy)-N-(1H-imidazol-2-ylmethyl)aniline
CID 54976663
2,6-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66414248
3,5-dichloro-4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 107572383
N-(1-benzothiophen-3-ylmethyl)-3-(difluoromethoxy)aniline
CID 60981344
4-fluoro-2-methoxy-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66415463
N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrimidin-5-amine
CID 107587617
N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,3-benzodioxol-5-amine
CID 66416394
2,6-dichloro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66416280
3-(difluoromethoxy)-N-[(2-methyl-1H-imidazol-5-yl)methyl]aniline
CID 62743456
2,5-dimethoxy-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66414633
3-N,3-N,4-trimethyl-1-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)benzene-1,3-diamine
CID 115377244
2-[[3-(difluoromethoxy)anilino]methyl]-6-methoxyphenol
CID 43698991

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline?
The IUPAC name of 3-(difluoromethoxy)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline (CID 66416795) is 3-(difluoromethoxy)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 3-(difluoromethoxy)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline?
The canonical SMILES for 3-(difluoromethoxy)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline is FC(F)Oc1cccc(NCc2c[nH]c3ncccc23)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline?
The InChIKey is JANQKPOHAPOCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O/c16-15(17)21-12-4-1-3-11(7-12)19-8-10-9-20-14-13(10)5-2-6-18-14/h1-7,9,15,19H,8H2,(H,18,20).
What are the key properties of 3-(difluoromethoxy)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline?
3-(difluoromethoxy)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline has a molecular weight of 289.29 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 66416795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).