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

C20H13ClFN3O — CID 58087344

IUPAC[5-(3-chloroanilino)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)c1c[nH]c2ncc(Nc3cccc(Cl)c3)cc12
InChIInChI=1S/C20H13ClFN3O/c21-12-4-3-5-13(8-12)25-14-9-16-17(11-24-20(16)23-10-14)19(26)15-6-1-2-7-18(15)22/h1-11,25H,(H,23,24)
InChIKeyCXLCWGUCDHTWCC-UHFFFAOYSA-N
MW365.80 g/mol
LogP5.33
Rot. Bonds4

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

[5-(3-chloroanilino)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2-fluorophenyl)methanone (PubChem CID 58087344) has the molecular formula C20H13ClFN3O and a molecular weight of 365.80 g/mol. Its IUPAC name is [5-(3-chloroanilino)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[5-(3-chloroanilino)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2-fluorophenyl)methanone
PubChem CID58087344
Molecular FormulaC20H13ClFN3O
Molecular Weight365.80 g/mol
Exact Mass365.07
IUPAC Name[5-(3-chloroanilino)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)c1c[nH]c2ncc(Nc3cccc(Cl)c3)cc12
InChIInChI=1S/C20H13ClFN3O/c21-12-4-3-5-13(8-12)25-14-9-16-17(11-24-20(16)23-10-14)19(26)15-6-1-2-7-18(15)22/h1-11,25H,(H,23,24)
InChIKeyCXLCWGUCDHTWCC-UHFFFAOYSA-N
XLogP5.33
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.80
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(2-chloroanilino)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2-fluorophenyl)methanone
CID 58086831
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(4-chloro-2-fluorophenyl)methanone
CID 58086773
4-amino-1-[5-(3-chloroanilino)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-iminopent-3-en-1-one
CID 173499394
(2-bromo-3-fluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 106884836
(5-anilino-1H-pyrrolo[2,3-b]pyridin-3-yl)-pyridin-3-ylmethanone
CID 58087201
(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2,6-difluoro-3-[3-(trifluoromethyl)anilino]phenyl]methanone
CID 174755838
(2-chloro-3-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 81453922
N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2-fluorophenyl]methanesulfonamide
CID 135248889
N-[5-(3-chloroanilino)-2-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113033314
1-[3-(5-anilino-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide
CID 172827954
N-(3-chlorophenyl)-2-fluorobenzamide
CID 531935
(2,6-difluorophenyl)-[5-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 163364698

Frequently Asked Questions

What is the IUPAC name of [5-(3-chloroanilino)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [5-(3-chloroanilino)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2-fluorophenyl)methanone (CID 58087344) is [5-(3-chloroanilino)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [5-(3-chloroanilino)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [5-(3-chloroanilino)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2-fluorophenyl)methanone is O=C(c1ccccc1F)c1c[nH]c2ncc(Nc3cccc(Cl)c3)cc12.
What is the InChIKey of [5-(3-chloroanilino)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2-fluorophenyl)methanone?
The InChIKey is CXLCWGUCDHTWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFN3O/c21-12-4-3-5-13(8-12)25-14-9-16-17(11-24-20(16)23-10-14)19(26)15-6-1-2-7-18(15)22/h1-11,25H,(H,23,24).
What are the key properties of [5-(3-chloroanilino)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2-fluorophenyl)methanone?
[5-(3-chloroanilino)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2-fluorophenyl)methanone has a molecular weight of 365.80 g/mol, XLogP of 5.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chloroanilino)-1H-pyrrolo[2,3-b]pyridin-3-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 58087344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).