(5-anilino-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluorophenyl)methanone

C20H16FN3O — CID 70842425

IUPAC(5-anilino-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)C1CNc2ncc(Nc3ccccc3)cc21
InChIInChI=1S/C20H16FN3O/c21-18-9-5-4-8-15(18)19(25)17-12-23-20-16(17)10-14(11-22-20)24-13-6-2-1-3-7-13/h1-11,17,24H,12H2,(H,22,23)
InChIKeyQZJYSOLLXWLDJC-UHFFFAOYSA-N
MW333.37 g/mol
LogP4.36
Rot. Bonds4

About (5-anilino-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluorophenyl)methanone

(5-anilino-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluorophenyl)methanone (PubChem CID 70842425) has the molecular formula C20H16FN3O and a molecular weight of 333.37 g/mol. Its IUPAC name is (5-anilino-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name(5-anilino-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluorophenyl)methanone
PubChem CID70842425
Molecular FormulaC20H16FN3O
Molecular Weight333.37 g/mol
Exact Mass333.13
IUPAC Name(5-anilino-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)C1CNc2ncc(Nc3ccccc3)cc21
InChIInChI=1S/C20H16FN3O/c21-18-9-5-4-8-15(18)19(25)17-12-23-20-16(17)10-14(11-22-20)24-13-6-2-1-3-7-13/h1-11,17,24H,12H2,(H,22,23)
InChIKeyQZJYSOLLXWLDJC-UHFFFAOYSA-N
XLogP4.36
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-anilino-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluorophenyl)methanone?
The IUPAC name of (5-anilino-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluorophenyl)methanone (CID 70842425) is (5-anilino-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluorophenyl)methanone.
What is the SMILES notation for (5-anilino-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluorophenyl)methanone?
The canonical SMILES for (5-anilino-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluorophenyl)methanone is O=C(c1ccccc1F)C1CNc2ncc(Nc3ccccc3)cc21.
What is the InChIKey of (5-anilino-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluorophenyl)methanone?
The InChIKey is QZJYSOLLXWLDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O/c21-18-9-5-4-8-15(18)19(25)17-12-23-20-16(17)10-14(11-22-20)24-13-6-2-1-3-7-13/h1-11,17,24H,12H2,(H,22,23).
What are the key properties of (5-anilino-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluorophenyl)methanone?
(5-anilino-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluorophenyl)methanone has a molecular weight of 333.37 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-anilino-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluorophenyl)methanone is sourced from PubChem (CID 70842425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).