HTCFQXCUNZCOHI-UHFFFAOYSA-N

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

C₂₀H₂₀F₂N₄O₄ — CID 154655144

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

IUPACmethyl 3-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate

SMILESCCOc1cc2nc(CCC(=O)OC)cn2cc1NC(=O)c1cccc(C(F)F)n1

InChIInChI=1S/C20H20F2N4O4/c1-3-30-16-9-17-23-12(7-8-18(27)29-2)10-26(17)11-15(16)25-20(28)14-6-4-5-13(24-14)19(21)22/h4-6,9-11,19H,3,7-8H2,1-2H3,(H,25,28)

InChIKeyHTCFQXCUNZCOHI-UHFFFAOYSA-N

MW418.40 g/mol

LogP3.42

Rot. Bonds8

About HTCFQXCUNZCOHI-UHFFFAOYSA-N

HTCFQXCUNZCOHI-UHFFFAOYSA-N (PubChem CID 154655144) has the molecular formula C₂₀H₂₀F₂N₄O₄ and a molecular weight of 418.40 g/mol. Its IUPAC name is methyl 3-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate.

Molecular Properties

Compound Name	HTCFQXCUNZCOHI-UHFFFAOYSA-N
PubChem CID	154655144
Molecular Formula	C₂₀H₂₀F₂N₄O₄
Molecular Weight	418.40 g/mol
Exact Mass	418.15
IUPAC Name	methyl 3-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate
SMILES	CCOc1cc2nc(CCC(=O)OC)cn2cc1NC(=O)c1cccc(C(F)F)n1
InChI	InChI=1S/C20H20F2N4O4/c1-3-30-16-9-17-23-12(7-8-18(27)29-2)10-26(17)11-15(16)25-20(28)14-6-4-5-13(24-14)19(21)22/h4-6,9-11,19H,3,7-8H2,1-2H3,(H,25,28)
InChIKey	HTCFQXCUNZCOHI-UHFFFAOYSA-N
XLogP	3.42
TPSA	94.82 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	8
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.40
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of HTCFQXCUNZCOHI-UHFFFAOYSA-N (CID 154655144) is methyl 3-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate.

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

The canonical SMILES for HTCFQXCUNZCOHI-UHFFFAOYSA-N is CCOc1cc2nc(CCC(=O)OC)cn2cc1NC(=O)c1cccc(C(F)F)n1.

What is the InChIKey of HTCFQXCUNZCOHI-UHFFFAOYSA-N?

The InChIKey is HTCFQXCUNZCOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O4/c1-3-30-16-9-17-23-12(7-8-18(27)29-2)10-26(17)11-15(16)25-20(28)14-6-4-5-13(24-14)19(21)22/h4-6,9-11,19H,3,7-8H2,1-2H3,(H,25,28).

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

HTCFQXCUNZCOHI-UHFFFAOYSA-N has a molecular weight of 418.40 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for HTCFQXCUNZCOHI-UHFFFAOYSA-N is sourced from PubChem (CID 154655144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 154655144 — identifiers, structure, computed properties (public domain)

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