3-cyano-N-[3-(3-methoxypropyl)-6-(morpholine-4-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide

C23H24N6O4 — CID 52942026

IUPAC3-cyano-N-[3-(3-methoxypropyl)-6-(morpholine-4-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
SMILESCOCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(=O)N3CCOCC3)cnc21
InChIInChI=1S/C23H24N6O4/c1-32-9-3-6-29-20-19(13-18(15-25-20)22(31)28-7-10-33-11-8-28)26-23(29)27-21(30)17-5-2-4-16(12-17)14-24/h2,4-5,12-13,15H,3,6-11H2,1H3,(H,26,27,30)
InChIKeyOXSOPCJLZDKJJY-UHFFFAOYSA-N
MW448.48 g/mol
LogP2.06
Rot. Bonds7

About 3-cyano-N-[3-(3-methoxypropyl)-6-(morpholine-4-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide

3-cyano-N-[3-(3-methoxypropyl)-6-(morpholine-4-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide (PubChem CID 52942026) has the molecular formula C23H24N6O4 and a molecular weight of 448.48 g/mol. Its IUPAC name is 3-cyano-N-[3-(3-methoxypropyl)-6-(morpholine-4-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[3-(3-methoxypropyl)-6-(morpholine-4-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
PubChem CID52942026
Molecular FormulaC23H24N6O4
Molecular Weight448.48 g/mol
Exact Mass448.19
IUPAC Name3-cyano-N-[3-(3-methoxypropyl)-6-(morpholine-4-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
SMILESCOCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(=O)N3CCOCC3)cnc21
InChIInChI=1S/C23H24N6O4/c1-32-9-3-6-29-20-19(13-18(15-25-20)22(31)28-7-10-33-11-8-28)26-23(29)27-21(30)17-5-2-4-16(12-17)14-24/h2,4-5,12-13,15H,3,6-11H2,1H3,(H,26,27,30)
InChIKeyOXSOPCJLZDKJJY-UHFFFAOYSA-N
XLogP2.06
TPSA122.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-cyano-N-[3-(3-methoxypropyl)-6-(morpholine-4-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide?
The IUPAC name of 3-cyano-N-[3-(3-methoxypropyl)-6-(morpholine-4-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide (CID 52942026) is 3-cyano-N-[3-(3-methoxypropyl)-6-(morpholine-4-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[3-(3-methoxypropyl)-6-(morpholine-4-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide?
The canonical SMILES for 3-cyano-N-[3-(3-methoxypropyl)-6-(morpholine-4-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide is COCCCn1c(NC(=O)c2cccc(C#N)c2)nc2cc(C(=O)N3CCOCC3)cnc21.
What is the InChIKey of 3-cyano-N-[3-(3-methoxypropyl)-6-(morpholine-4-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide?
The InChIKey is OXSOPCJLZDKJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O4/c1-32-9-3-6-29-20-19(13-18(15-25-20)22(31)28-7-10-33-11-8-28)26-23(29)27-21(30)17-5-2-4-16(12-17)14-24/h2,4-5,12-13,15H,3,6-11H2,1H3,(H,26,27,30).
What are the key properties of 3-cyano-N-[3-(3-methoxypropyl)-6-(morpholine-4-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide?
3-cyano-N-[3-(3-methoxypropyl)-6-(morpholine-4-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide has a molecular weight of 448.48 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[3-(3-methoxypropyl)-6-(morpholine-4-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide is sourced from PubChem (CID 52942026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).