3-propyl-6-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-one

C14H14N4O — CID 20509433

IUPAC3-propyl-6-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-one
SMILESCCCn1c(=O)[nH]c2cc(-c3cccnc3)cnc21
InChIInChI=1S/C14H14N4O/c1-2-6-18-13-12(17-14(18)19)7-11(9-16-13)10-4-3-5-15-8-10/h3-5,7-9H,2,6H2,1H3,(H,17,19)
InChIKeyDXXYOZOFYYPPDL-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.20
Rot. Bonds3

About 3-propyl-6-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-one

3-propyl-6-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 20509433) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-propyl-6-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-propyl-6-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID20509433
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name3-propyl-6-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-one
SMILESCCCn1c(=O)[nH]c2cc(-c3cccnc3)cnc21
InChIInChI=1S/C14H14N4O/c1-2-6-18-13-12(17-14(18)19)7-11(9-16-13)10-4-3-5-15-8-10/h3-5,7-9H,2,6H2,1H3,(H,17,19)
InChIKeyDXXYOZOFYYPPDL-UHFFFAOYSA-N
XLogP2.20
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-6-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-propyl-6-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-one (CID 20509433) is 3-propyl-6-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-propyl-6-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-propyl-6-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-one is CCCn1c(=O)[nH]c2cc(-c3cccnc3)cnc21.
What is the InChIKey of 3-propyl-6-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is DXXYOZOFYYPPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-2-6-18-13-12(17-14(18)19)7-11(9-16-13)10-4-3-5-15-8-10/h3-5,7-9H,2,6H2,1H3,(H,17,19).
What are the key properties of 3-propyl-6-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-one?
3-propyl-6-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 254.29 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-6-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 20509433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).