2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide

C19H16F3N5O4 — CID 155166567

IUPAC2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide
SMILESNC(=O)c1cc2nc(C3COCCO3)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C19H16F3N5O4/c20-19(21,22)15-3-1-2-11(24-15)18(29)26-12-7-27-8-13(14-9-30-4-5-31-14)25-16(27)6-10(12)17(23)28/h1-3,6-8,14H,4-5,9H2,(H2,23,28)(H,26,29)
InChIKeyOBDPSOXGDKBPOV-UHFFFAOYSA-N
MW435.36 g/mol
LogP2.19
Rot. Bonds4

About 2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide

2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 155166567) has the molecular formula C19H16F3N5O4 and a molecular weight of 435.36 g/mol. Its IUPAC name is 2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide
PubChem CID155166567
Molecular FormulaC19H16F3N5O4
Molecular Weight435.36 g/mol
Exact Mass435.12
IUPAC Name2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide
SMILESNC(=O)c1cc2nc(C3COCCO3)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C19H16F3N5O4/c20-19(21,22)15-3-1-2-11(24-15)18(29)26-12-7-27-8-13(14-9-30-4-5-31-14)25-16(27)6-10(12)17(23)28/h1-3,6-8,14H,4-5,9H2,(H2,23,28)(H,26,29)
InChIKeyOBDPSOXGDKBPOV-UHFFFAOYSA-N
XLogP2.19
TPSA120.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of 2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide (CID 155166567) is 2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for 2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for 2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide is NC(=O)c1cc2nc(C3COCCO3)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is OBDPSOXGDKBPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O4/c20-19(21,22)15-3-1-2-11(24-15)18(29)26-12-7-27-8-13(14-9-30-4-5-31-14)25-16(27)6-10(12)17(23)28/h1-3,6-8,14H,4-5,9H2,(H2,23,28)(H,26,29).
What are the key properties of 2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide?
2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 435.36 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 155166567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).