6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)-N-methylimidazo[1,2-a]pyridine-7-carboxamide

C21H21F2N5O4 — CID 155166581

IUPAC6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)-N-methylimidazo[1,2-a]pyridine-7-carboxamide
SMILESCNC(=O)c1cc2nc(C3COCCO3)cn2cc1NC(=O)c1cccc(C(C)(F)F)n1
InChIInChI=1S/C21H21F2N5O4/c1-21(22,23)17-5-3-4-13(25-17)20(30)27-14-9-28-10-15(16-11-31-6-7-32-16)26-18(28)8-12(14)19(29)24-2/h3-5,8-10,16H,6-7,11H2,1-2H3,(H,24,29)(H,27,30)
InChIKeyUDASCFKZHJPYAB-UHFFFAOYSA-N
MW445.43 g/mol
LogP2.54
Rot. Bonds5

About 6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)-N-methylimidazo[1,2-a]pyridine-7-carboxamide

6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)-N-methylimidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 155166581) has the molecular formula C21H21F2N5O4 and a molecular weight of 445.43 g/mol. Its IUPAC name is 6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)-N-methylimidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)-N-methylimidazo[1,2-a]pyridine-7-carboxamide
PubChem CID155166581
Molecular FormulaC21H21F2N5O4
Molecular Weight445.43 g/mol
Exact Mass445.16
IUPAC Name6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)-N-methylimidazo[1,2-a]pyridine-7-carboxamide
SMILESCNC(=O)c1cc2nc(C3COCCO3)cn2cc1NC(=O)c1cccc(C(C)(F)F)n1
InChIInChI=1S/C21H21F2N5O4/c1-21(22,23)17-5-3-4-13(25-17)20(30)27-14-9-28-10-15(16-11-31-6-7-32-16)26-18(28)8-12(14)19(29)24-2/h3-5,8-10,16H,6-7,11H2,1-2H3,(H,24,29)(H,27,30)
InChIKeyUDASCFKZHJPYAB-UHFFFAOYSA-N
XLogP2.54
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)-N-methylimidazo[1,2-a]pyridine-7-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-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)-N-methylimidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of 6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)-N-methylimidazo[1,2-a]pyridine-7-carboxamide (CID 155166581) is 6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)-N-methylimidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for 6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)-N-methylimidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for 6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)-N-methylimidazo[1,2-a]pyridine-7-carboxamide is CNC(=O)c1cc2nc(C3COCCO3)cn2cc1NC(=O)c1cccc(C(C)(F)F)n1.
What is the InChIKey of 6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)-N-methylimidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is UDASCFKZHJPYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N5O4/c1-21(22,23)17-5-3-4-13(25-17)20(30)27-14-9-28-10-15(16-11-31-6-7-32-16)26-18(28)8-12(14)19(29)24-2/h3-5,8-10,16H,6-7,11H2,1-2H3,(H,24,29)(H,27,30).
What are the key properties of 6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)-N-methylimidazo[1,2-a]pyridine-7-carboxamide?
6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)-N-methylimidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 445.43 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(1,1-difluoroethyl)pyridine-2-carbonyl]amino]-2-(1,4-dioxan-2-yl)-N-methylimidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 155166581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).