6-(difluoromethyl)-N-[2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide

C18H18F2N4O2 — CID 154655204

IUPAC6-(difluoromethyl)-N-[2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
SMILESCOCCCc1cn2cc(NC(=O)c3cccc(C(F)F)n3)ccc2n1
InChIInChI=1S/C18H18F2N4O2/c1-26-9-3-4-12-10-24-11-13(7-8-16(24)21-12)22-18(25)15-6-2-5-14(23-15)17(19)20/h2,5-8,10-11,17H,3-4,9H2,1H3,(H,22,25)
InChIKeyYDKWFFNWGMLSTR-UHFFFAOYSA-N
MW360.36 g/mol
LogP3.50
Rot. Bonds7

About 6-(difluoromethyl)-N-[2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide

6-(difluoromethyl)-N-[2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide (PubChem CID 154655204) has the molecular formula C18H18F2N4O2 and a molecular weight of 360.36 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-[2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-N-[2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
PubChem CID154655204
Molecular FormulaC18H18F2N4O2
Molecular Weight360.36 g/mol
Exact Mass360.14
IUPAC Name6-(difluoromethyl)-N-[2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
SMILESCOCCCc1cn2cc(NC(=O)c3cccc(C(F)F)n3)ccc2n1
InChIInChI=1S/C18H18F2N4O2/c1-26-9-3-4-12-10-24-11-13(7-8-16(24)21-12)22-18(25)15-6-2-5-14(23-15)17(19)20/h2,5-8,10-11,17H,3-4,9H2,1H3,(H,22,25)
InChIKeyYDKWFFNWGMLSTR-UHFFFAOYSA-N
XLogP3.50
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(difluoromethyl)-N-[2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-N-[2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide (CID 154655204) is 6-(difluoromethyl)-N-[2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-N-[2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-N-[2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide is COCCCc1cn2cc(NC(=O)c3cccc(C(F)F)n3)ccc2n1.
What is the InChIKey of 6-(difluoromethyl)-N-[2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?
The InChIKey is YDKWFFNWGMLSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O2/c1-26-9-3-4-12-10-24-11-13(7-8-16(24)21-12)22-18(25)15-6-2-5-14(23-15)17(19)20/h2,5-8,10-11,17H,3-4,9H2,1H3,(H,22,25).
What are the key properties of 6-(difluoromethyl)-N-[2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?
6-(difluoromethyl)-N-[2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide has a molecular weight of 360.36 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-N-[2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 154655204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).