(4-fluoropiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone

C18H17FN4O — CID 156811022

IUPAC(4-fluoropiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone
SMILESO=C(c1cnc2c(ccn2-c2cccnc2)c1)N1CCC(F)CC1
InChIInChI=1S/C18H17FN4O/c19-15-4-7-22(8-5-15)18(24)14-10-13-3-9-23(17(13)21-11-14)16-2-1-6-20-12-16/h1-3,6,9-12,15H,4-5,7-8H2
InChIKeyBUZZLJTVKSQJNA-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.99
Rot. Bonds2

About (4-fluoropiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone

(4-fluoropiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone (PubChem CID 156811022) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is (4-fluoropiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(4-fluoropiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone
PubChem CID156811022
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name(4-fluoropiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone
SMILESO=C(c1cnc2c(ccn2-c2cccnc2)c1)N1CCC(F)CC1
InChIInChI=1S/C18H17FN4O/c19-15-4-7-22(8-5-15)18(24)14-10-13-3-9-23(17(13)21-11-14)16-2-1-6-20-12-16/h1-3,6,9-12,15H,4-5,7-8H2
InChIKeyBUZZLJTVKSQJNA-UHFFFAOYSA-N
XLogP2.99
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluoropiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone?
The IUPAC name of (4-fluoropiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone (CID 156811022) is (4-fluoropiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone.
What is the SMILES notation for (4-fluoropiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone?
The canonical SMILES for (4-fluoropiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone is O=C(c1cnc2c(ccn2-c2cccnc2)c1)N1CCC(F)CC1.
What is the InChIKey of (4-fluoropiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone?
The InChIKey is BUZZLJTVKSQJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c19-15-4-7-22(8-5-15)18(24)14-10-13-3-9-23(17(13)21-11-14)16-2-1-6-20-12-16/h1-3,6,9-12,15H,4-5,7-8H2.
What are the key properties of (4-fluoropiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone?
(4-fluoropiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone has a molecular weight of 324.36 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoropiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone is sourced from PubChem (CID 156811022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).