(4,4-difluoropiperidin-1-yl)-[1-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]methanone

C21H18F2N6O2 — CID 156811080

IUPAC(4,4-difluoropiperidin-1-yl)-[1-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]methanone
SMILESCc1nc(-c2cncc(-n3ccc4cc(C(=O)N5CCC(F)(F)CC5)cnc43)c2)no1
InChIInChI=1S/C21H18F2N6O2/c1-13-26-18(27-31-13)15-9-17(12-24-10-15)29-5-2-14-8-16(11-25-19(14)29)20(30)28-6-3-21(22,23)4-7-28/h2,5,8-12H,3-4,6-7H2,1H3
InChIKeyLHAQFOJWKASOCP-UHFFFAOYSA-N
MW424.41 g/mol
LogP3.65
Rot. Bonds3

About (4,4-difluoropiperidin-1-yl)-[1-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]methanone

(4,4-difluoropiperidin-1-yl)-[1-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]methanone (PubChem CID 156811080) has the molecular formula C21H18F2N6O2 and a molecular weight of 424.41 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[1-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[1-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]methanone
PubChem CID156811080
Molecular FormulaC21H18F2N6O2
Molecular Weight424.41 g/mol
Exact Mass424.15
IUPAC Name(4,4-difluoropiperidin-1-yl)-[1-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]methanone
SMILESCc1nc(-c2cncc(-n3ccc4cc(C(=O)N5CCC(F)(F)CC5)cnc43)c2)no1
InChIInChI=1S/C21H18F2N6O2/c1-13-26-18(27-31-13)15-9-17(12-24-10-15)29-5-2-14-8-16(11-25-19(14)29)20(30)28-6-3-21(22,23)4-7-28/h2,5,8-12H,3-4,6-7H2,1H3
InChIKeyLHAQFOJWKASOCP-UHFFFAOYSA-N
XLogP3.65
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.41
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4,4-difluoropiperidin-1-yl)-[1-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]methanone (CID 156811080) is (4,4-difluoropiperidin-1-yl)-[1-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[1-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[1-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]methanone is Cc1nc(-c2cncc(-n3ccc4cc(C(=O)N5CCC(F)(F)CC5)cnc43)c2)no1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[1-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]methanone?
The InChIKey is LHAQFOJWKASOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N6O2/c1-13-26-18(27-31-13)15-9-17(12-24-10-15)29-5-2-14-8-16(11-25-19(14)29)20(30)28-6-3-21(22,23)4-7-28/h2,5,8-12H,3-4,6-7H2,1H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[1-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[1-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]methanone has a molecular weight of 424.41 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[1-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]methanone is sourced from PubChem (CID 156811080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).