7-(aminomethyl)-6-(4-fluoro-2-hydroxyphenyl)-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-carboxamide

C20H21FN4O3 — CID 143550774

IUPAC7-(aminomethyl)-6-(4-fluoro-2-hydroxyphenyl)-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESNCc1cc2ncc(C(=O)NC3CCCOC3)n2cc1-c1ccc(F)cc1O
InChIInChI=1S/C20H21FN4O3/c21-13-3-4-15(18(26)7-13)16-10-25-17(9-23-19(25)6-12(16)8-22)20(27)24-14-2-1-5-28-11-14/h3-4,6-7,9-10,14,26H,1-2,5,8,11,22H2,(H,24,27)
InChIKeyXRJUYYHJEIDLCT-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.21
Rot. Bonds4

About 7-(aminomethyl)-6-(4-fluoro-2-hydroxyphenyl)-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-carboxamide

7-(aminomethyl)-6-(4-fluoro-2-hydroxyphenyl)-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 143550774) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is 7-(aminomethyl)-6-(4-fluoro-2-hydroxyphenyl)-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name7-(aminomethyl)-6-(4-fluoro-2-hydroxyphenyl)-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID143550774
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Name7-(aminomethyl)-6-(4-fluoro-2-hydroxyphenyl)-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESNCc1cc2ncc(C(=O)NC3CCCOC3)n2cc1-c1ccc(F)cc1O
InChIInChI=1S/C20H21FN4O3/c21-13-3-4-15(18(26)7-13)16-10-25-17(9-23-19(25)6-12(16)8-22)20(27)24-14-2-1-5-28-11-14/h3-4,6-7,9-10,14,26H,1-2,5,8,11,22H2,(H,24,27)
InChIKeyXRJUYYHJEIDLCT-UHFFFAOYSA-N
XLogP2.21
TPSA101.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-6-(4-fluoro-2-hydroxyphenyl)-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 7-(aminomethyl)-6-(4-fluoro-2-hydroxyphenyl)-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-carboxamide (CID 143550774) is 7-(aminomethyl)-6-(4-fluoro-2-hydroxyphenyl)-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 7-(aminomethyl)-6-(4-fluoro-2-hydroxyphenyl)-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 7-(aminomethyl)-6-(4-fluoro-2-hydroxyphenyl)-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-carboxamide is NCc1cc2ncc(C(=O)NC3CCCOC3)n2cc1-c1ccc(F)cc1O.
What is the InChIKey of 7-(aminomethyl)-6-(4-fluoro-2-hydroxyphenyl)-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is XRJUYYHJEIDLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3/c21-13-3-4-15(18(26)7-13)16-10-25-17(9-23-19(25)6-12(16)8-22)20(27)24-14-2-1-5-28-11-14/h3-4,6-7,9-10,14,26H,1-2,5,8,11,22H2,(H,24,27).
What are the key properties of 7-(aminomethyl)-6-(4-fluoro-2-hydroxyphenyl)-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-carboxamide?
7-(aminomethyl)-6-(4-fluoro-2-hydroxyphenyl)-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 384.41 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-6-(4-fluoro-2-hydroxyphenyl)-N-(oxan-3-yl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 143550774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).