YUMXTONMSBGGNN-UHFFFAOYSA-N

Name: YUMXTONMSBGGNN-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₁H₂₂F₂N₄O₃ — CID 154655542

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC6-(difluoromethyl)-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide

SMILESCCOc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1cccc(C(F)F)n1

InChIInChI=1S/C21H22F2N4O3/c1-2-30-18-10-19-25-16(13-6-8-29-9-7-13)11-27(19)12-17(18)26-21(28)15-5-3-4-14(24-15)20(22)23/h3-5,10-13,20H,2,6-9H2,1H3,(H,26,28)

InChIKeyYUMXTONMSBGGNN-UHFFFAOYSA-N

MW416.43 g/mol

LogP4.21

Rot. Bonds6

About YUMXTONMSBGGNN-UHFFFAOYSA-N

YUMXTONMSBGGNN-UHFFFAOYSA-N (PubChem CID 154655542) has the molecular formula C₂₁H₂₂F₂N₄O₃ and a molecular weight of 416.43 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name	YUMXTONMSBGGNN-UHFFFAOYSA-N
PubChem CID	154655542
Molecular Formula	C₂₁H₂₂F₂N₄O₃
Molecular Weight	416.43 g/mol
Exact Mass	416.17
IUPAC Name	6-(difluoromethyl)-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
SMILES	CCOc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1cccc(C(F)F)n1
InChI	InChI=1S/C21H22F2N4O3/c1-2-30-18-10-19-25-16(13-6-8-29-9-7-13)11-27(19)12-17(18)26-21(28)15-5-3-4-14(24-15)20(22)23/h3-5,10-13,20H,2,6-9H2,1H3,(H,26,28)
InChIKey	YUMXTONMSBGGNN-UHFFFAOYSA-N
XLogP	4.21
TPSA	77.75 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.43
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of YUMXTONMSBGGNN-UHFFFAOYSA-N?

The IUPAC name of YUMXTONMSBGGNN-UHFFFAOYSA-N (CID 154655542) is 6-(difluoromethyl)-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide.

What is the SMILES notation for YUMXTONMSBGGNN-UHFFFAOYSA-N?

The canonical SMILES for YUMXTONMSBGGNN-UHFFFAOYSA-N is CCOc1cc2nc(C3CCOCC3)cn2cc1NC(=O)c1cccc(C(F)F)n1.

What is the InChIKey of YUMXTONMSBGGNN-UHFFFAOYSA-N?

The InChIKey is YUMXTONMSBGGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O3/c1-2-30-18-10-19-25-16(13-6-8-29-9-7-13)11-27(19)12-17(18)26-21(28)15-5-3-4-14(24-15)20(22)23/h3-5,10-13,20H,2,6-9H2,1H3,(H,26,28).

What are the key properties of YUMXTONMSBGGNN-UHFFFAOYSA-N?

YUMXTONMSBGGNN-UHFFFAOYSA-N has a molecular weight of 416.43 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for YUMXTONMSBGGNN-UHFFFAOYSA-N is sourced from PubChem (CID 154655542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 154655542 — identifiers, structure, computed properties (public domain)

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