5-(2-fluoro-3-pyridinyl)-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C18H18FN5O — CID 156501633

IUPAC5-(2-fluoro-3-pyridinyl)-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESO=C(NC1CCNCC1)c1c[nH]c2ncc(-c3cccnc3F)cc12
InChIInChI=1S/C18H18FN5O/c19-16-13(2-1-5-21-16)11-8-14-15(10-23-17(14)22-9-11)18(25)24-12-3-6-20-7-4-12/h1-2,5,8-10,12,20H,3-4,6-7H2,(H,22,23)(H,24,25)
InChIKeyZQTKPPMAYIXKBH-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.25
Rot. Bonds3

About 5-(2-fluoro-3-pyridinyl)-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

5-(2-fluoro-3-pyridinyl)-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 156501633) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is 5-(2-fluoro-3-pyridinyl)-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-fluoro-3-pyridinyl)-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID156501633
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name5-(2-fluoro-3-pyridinyl)-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESO=C(NC1CCNCC1)c1c[nH]c2ncc(-c3cccnc3F)cc12
InChIInChI=1S/C18H18FN5O/c19-16-13(2-1-5-21-16)11-8-14-15(10-23-17(14)22-9-11)18(25)24-12-3-6-20-7-4-12/h1-2,5,8-10,12,20H,3-4,6-7H2,(H,22,23)(H,24,25)
InChIKeyZQTKPPMAYIXKBH-UHFFFAOYSA-N
XLogP2.25
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-3-pyridinyl)-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-(2-fluoro-3-pyridinyl)-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 156501633) is 5-(2-fluoro-3-pyridinyl)-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-fluoro-3-pyridinyl)-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-(2-fluoro-3-pyridinyl)-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is O=C(NC1CCNCC1)c1c[nH]c2ncc(-c3cccnc3F)cc12.
What is the InChIKey of 5-(2-fluoro-3-pyridinyl)-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is ZQTKPPMAYIXKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c19-16-13(2-1-5-21-16)11-8-14-15(10-23-17(14)22-9-11)18(25)24-12-3-6-20-7-4-12/h1-2,5,8-10,12,20H,3-4,6-7H2,(H,22,23)(H,24,25).
What are the key properties of 5-(2-fluoro-3-pyridinyl)-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
5-(2-fluoro-3-pyridinyl)-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 339.37 g/mol, XLogP of 2.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-3-pyridinyl)-N-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 156501633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).