6-(difluoromethyl)-N-[7-ethoxy-2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide

C20H22F2N4O3 — CID 154655456

IUPAC6-(difluoromethyl)-N-[7-ethoxy-2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
SMILESCCOc1cc2nc(CCCOC)cn2cc1NC(=O)c1cccc(C(F)F)n1
InChIInChI=1S/C20H22F2N4O3/c1-3-29-17-10-18-23-13(6-5-9-28-2)11-26(18)12-16(17)25-20(27)15-8-4-7-14(24-15)19(21)22/h4,7-8,10-12,19H,3,5-6,9H2,1-2H3,(H,25,27)
InChIKeyCIDWVFVGUHTFBL-UHFFFAOYSA-N
MW404.42 g/mol
LogP3.90
Rot. Bonds9

About 6-(difluoromethyl)-N-[7-ethoxy-2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide

6-(difluoromethyl)-N-[7-ethoxy-2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide (PubChem CID 154655456) has the molecular formula C20H22F2N4O3 and a molecular weight of 404.42 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-[7-ethoxy-2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-N-[7-ethoxy-2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
PubChem CID154655456
Molecular FormulaC20H22F2N4O3
Molecular Weight404.42 g/mol
Exact Mass404.17
IUPAC Name6-(difluoromethyl)-N-[7-ethoxy-2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
SMILESCCOc1cc2nc(CCCOC)cn2cc1NC(=O)c1cccc(C(F)F)n1
InChIInChI=1S/C20H22F2N4O3/c1-3-29-17-10-18-23-13(6-5-9-28-2)11-26(18)12-16(17)25-20(27)15-8-4-7-14(24-15)19(21)22/h4,7-8,10-12,19H,3,5-6,9H2,1-2H3,(H,25,27)
InChIKeyCIDWVFVGUHTFBL-UHFFFAOYSA-N
XLogP3.90
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-(difluoromethyl)-N-[7-ethoxy-2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-N-[7-ethoxy-2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-N-[7-ethoxy-2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide (CID 154655456) is 6-(difluoromethyl)-N-[7-ethoxy-2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-N-[7-ethoxy-2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-N-[7-ethoxy-2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide is CCOc1cc2nc(CCCOC)cn2cc1NC(=O)c1cccc(C(F)F)n1.
What is the InChIKey of 6-(difluoromethyl)-N-[7-ethoxy-2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?
The InChIKey is CIDWVFVGUHTFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4O3/c1-3-29-17-10-18-23-13(6-5-9-28-2)11-26(18)12-16(17)25-20(27)15-8-4-7-14(24-15)19(21)22/h4,7-8,10-12,19H,3,5-6,9H2,1-2H3,(H,25,27).
What are the key properties of 6-(difluoromethyl)-N-[7-ethoxy-2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide?
6-(difluoromethyl)-N-[7-ethoxy-2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide has a molecular weight of 404.42 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-N-[7-ethoxy-2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 154655456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).