N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]acetamide

C20H15FN4O — CID 12968335

IUPACN-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2c(-c3ccncc3)c(-c3ccc(F)cc3)[nH]c2n1
InChIInChI=1S/C20H15FN4O/c1-12(26)23-17-7-6-16-18(13-8-10-22-11-9-13)19(25-20(16)24-17)14-2-4-15(21)5-3-14/h2-11H,1H3,(H2,23,24,25,26)
InChIKeyDKSOHNUQIJWTPQ-UHFFFAOYSA-N
MW346.37 g/mol
LogP4.39
Rot. Bonds3

About N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]acetamide

N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]acetamide (PubChem CID 12968335) has the molecular formula C20H15FN4O and a molecular weight of 346.37 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]acetamide
PubChem CID12968335
Molecular FormulaC20H15FN4O
Molecular Weight346.37 g/mol
Exact Mass346.12
IUPAC NameN-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2c(-c3ccncc3)c(-c3ccc(F)cc3)[nH]c2n1
InChIInChI=1S/C20H15FN4O/c1-12(26)23-17-7-6-16-18(13-8-10-22-11-9-13)19(25-20(16)24-17)14-2-4-15(21)5-3-14/h2-11H,1H3,(H2,23,24,25,26)
InChIKeyDKSOHNUQIJWTPQ-UHFFFAOYSA-N
XLogP4.39
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]acetamide (CID 12968335) is N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]acetamide is CC(=O)Nc1ccc2c(-c3ccncc3)c(-c3ccc(F)cc3)[nH]c2n1.
What is the InChIKey of N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]acetamide?
The InChIKey is DKSOHNUQIJWTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O/c1-12(26)23-17-7-6-16-18(13-8-10-22-11-9-13)19(25-20(16)24-17)14-2-4-15(21)5-3-14/h2-11H,1H3,(H2,23,24,25,26).
What are the key properties of N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]acetamide?
N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]acetamide has a molecular weight of 346.37 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]acetamide is sourced from PubChem (CID 12968335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).