N-[(3-fluorophenyl)methyl]-2-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide

C21H17FN4O — CID 134807543

IUPACN-[(3-fluorophenyl)methyl]-2-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ncc(-c3cccnc3)cc12)NCc1cccc(F)c1
InChIInChI=1S/C21H17FN4O/c22-18-5-1-3-14(7-18)10-24-20(27)9-17-13-26-21-19(17)8-16(12-25-21)15-4-2-6-23-11-15/h1-8,11-13H,9-10H2,(H,24,27)(H,25,26)
InChIKeyBTNBJGSOAPMVSF-UHFFFAOYSA-N
MW360.39 g/mol
LogP3.62
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-2-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide

N-[(3-fluorophenyl)methyl]-2-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide (PubChem CID 134807543) has the molecular formula C21H17FN4O and a molecular weight of 360.39 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
PubChem CID134807543
Molecular FormulaC21H17FN4O
Molecular Weight360.39 g/mol
Exact Mass360.14
IUPAC NameN-[(3-fluorophenyl)methyl]-2-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ncc(-c3cccnc3)cc12)NCc1cccc(F)c1
InChIInChI=1S/C21H17FN4O/c22-18-5-1-3-14(7-18)10-24-20(27)9-17-13-26-21-19(17)8-16(12-25-21)15-4-2-6-23-11-15/h1-8,11-13H,9-10H2,(H,24,27)(H,25,26)
InChIKeyBTNBJGSOAPMVSF-UHFFFAOYSA-N
XLogP3.62
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide (CID 134807543) is N-[(3-fluorophenyl)methyl]-2-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide is O=C(Cc1c[nH]c2ncc(-c3cccnc3)cc12)NCc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The InChIKey is BTNBJGSOAPMVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O/c22-18-5-1-3-14(7-18)10-24-20(27)9-17-13-26-21-19(17)8-16(12-25-21)15-4-2-6-23-11-15/h1-8,11-13H,9-10H2,(H,24,27)(H,25,26).
What are the key properties of N-[(3-fluorophenyl)methyl]-2-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
N-[(3-fluorophenyl)methyl]-2-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide has a molecular weight of 360.39 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide is sourced from PubChem (CID 134807543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).