6-chloro-1-pentyl-7-pyridin-3-yl-3H-imidazo[4,5-b]pyridin-2-one

C16H17ClN4O — CID 67353212

IUPAC6-chloro-1-pentyl-7-pyridin-3-yl-3H-imidazo[4,5-b]pyridin-2-one
SMILESCCCCCn1c(=O)[nH]c2ncc(Cl)c(-c3cccnc3)c21
InChIInChI=1S/C16H17ClN4O/c1-2-3-4-8-21-14-13(11-6-5-7-18-9-11)12(17)10-19-15(14)20-16(21)22/h5-7,9-10H,2-4,8H2,1H3,(H,19,20,22)
InChIKeyZZWDQPOHEPLFJX-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.63
Rot. Bonds5

About 6-chloro-1-pentyl-7-pyridin-3-yl-3H-imidazo[4,5-b]pyridin-2-one

6-chloro-1-pentyl-7-pyridin-3-yl-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 67353212) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is 6-chloro-1-pentyl-7-pyridin-3-yl-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-chloro-1-pentyl-7-pyridin-3-yl-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID67353212
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC Name6-chloro-1-pentyl-7-pyridin-3-yl-3H-imidazo[4,5-b]pyridin-2-one
SMILESCCCCCn1c(=O)[nH]c2ncc(Cl)c(-c3cccnc3)c21
InChIInChI=1S/C16H17ClN4O/c1-2-3-4-8-21-14-13(11-6-5-7-18-9-11)12(17)10-19-15(14)20-16(21)22/h5-7,9-10H,2-4,8H2,1H3,(H,19,20,22)
InChIKeyZZWDQPOHEPLFJX-UHFFFAOYSA-N
XLogP3.63
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-pentyl-7-pyridin-3-yl-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-chloro-1-pentyl-7-pyridin-3-yl-3H-imidazo[4,5-b]pyridin-2-one (CID 67353212) is 6-chloro-1-pentyl-7-pyridin-3-yl-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-chloro-1-pentyl-7-pyridin-3-yl-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-chloro-1-pentyl-7-pyridin-3-yl-3H-imidazo[4,5-b]pyridin-2-one is CCCCCn1c(=O)[nH]c2ncc(Cl)c(-c3cccnc3)c21.
What is the InChIKey of 6-chloro-1-pentyl-7-pyridin-3-yl-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is ZZWDQPOHEPLFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O/c1-2-3-4-8-21-14-13(11-6-5-7-18-9-11)12(17)10-19-15(14)20-16(21)22/h5-7,9-10H,2-4,8H2,1H3,(H,19,20,22).
What are the key properties of 6-chloro-1-pentyl-7-pyridin-3-yl-3H-imidazo[4,5-b]pyridin-2-one?
6-chloro-1-pentyl-7-pyridin-3-yl-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 316.79 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-pentyl-7-pyridin-3-yl-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 67353212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).