3-(3-methoxypropyl)-1H-imidazo[4,5-b]pyridin-2-one

C10H13N3O2 — CID 134794938

IUPAC3-(3-methoxypropyl)-1H-imidazo[4,5-b]pyridin-2-one
SMILESCOCCCn1c(=O)[nH]c2cccnc21
InChIInChI=1S/C10H13N3O2/c1-15-7-3-6-13-9-8(12-10(13)14)4-2-5-11-9/h2,4-5H,3,6-7H2,1H3,(H,12,14)
InChIKeyKLDNSLNFMIXMMP-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.76
Rot. Bonds4

About 3-(3-methoxypropyl)-1H-imidazo[4,5-b]pyridin-2-one

3-(3-methoxypropyl)-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 134794938) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-(3-methoxypropyl)-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID134794938
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name3-(3-methoxypropyl)-1H-imidazo[4,5-b]pyridin-2-one
SMILESCOCCCn1c(=O)[nH]c2cccnc21
InChIInChI=1S/C10H13N3O2/c1-15-7-3-6-13-9-8(12-10(13)14)4-2-5-11-9/h2,4-5H,3,6-7H2,1H3,(H,12,14)
InChIKeyKLDNSLNFMIXMMP-UHFFFAOYSA-N
XLogP0.76
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.76
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 3-(3-methoxypropyl)-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-(3-methoxypropyl)-1H-imidazo[4,5-b]pyridin-2-one (CID 134794938) is 3-(3-methoxypropyl)-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-(3-methoxypropyl)-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-(3-methoxypropyl)-1H-imidazo[4,5-b]pyridin-2-one is COCCCn1c(=O)[nH]c2cccnc21.
What is the InChIKey of 3-(3-methoxypropyl)-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is KLDNSLNFMIXMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-15-7-3-6-13-9-8(12-10(13)14)4-2-5-11-9/h2,4-5H,3,6-7H2,1H3,(H,12,14).
What are the key properties of 3-(3-methoxypropyl)-1H-imidazo[4,5-b]pyridin-2-one?
3-(3-methoxypropyl)-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 207.23 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134794938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).