2-(2-fluorophenyl)-N-[(3R,6S)-6-(2-hydroxypropan-2-yl)oxan-3-yl]imidazo[1,2-a]pyridine-6-carboxamide

C22H24FN3O3 — CID 164610994

IUPAC2-(2-fluorophenyl)-N-[(3R,6S)-6-(2-hydroxypropan-2-yl)oxan-3-yl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCC(C)(O)[C@@H]1CC[C@@H](NC(=O)c2ccc3nc(-c4ccccc4F)cn3c2)CO1
InChIInChI=1S/C22H24FN3O3/c1-22(2,28)19-9-8-15(13-29-19)24-21(27)14-7-10-20-25-18(12-26(20)11-14)16-5-3-4-6-17(16)23/h3-7,10-12,15,19,28H,8-9,13H2,1-2H3,(H,24,27)/t15-,19+/m1/s1
InChIKeyUHTJVMDEKRCYRP-BEFAXECRSA-N
MW397.45 g/mol
LogP3.19
Rot. Bonds4

About 2-(2-fluorophenyl)-N-[(3R,6S)-6-(2-hydroxypropan-2-yl)oxan-3-yl]imidazo[1,2-a]pyridine-6-carboxamide

2-(2-fluorophenyl)-N-[(3R,6S)-6-(2-hydroxypropan-2-yl)oxan-3-yl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 164610994) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[(3R,6S)-6-(2-hydroxypropan-2-yl)oxan-3-yl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[(3R,6S)-6-(2-hydroxypropan-2-yl)oxan-3-yl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID164610994
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Name2-(2-fluorophenyl)-N-[(3R,6S)-6-(2-hydroxypropan-2-yl)oxan-3-yl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCC(C)(O)[C@@H]1CC[C@@H](NC(=O)c2ccc3nc(-c4ccccc4F)cn3c2)CO1
InChIInChI=1S/C22H24FN3O3/c1-22(2,28)19-9-8-15(13-29-19)24-21(27)14-7-10-20-25-18(12-26(20)11-14)16-5-3-4-6-17(16)23/h3-7,10-12,15,19,28H,8-9,13H2,1-2H3,(H,24,27)/t15-,19+/m1/s1
InChIKeyUHTJVMDEKRCYRP-BEFAXECRSA-N
XLogP3.19
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[(3R,6S)-6-(2-hydroxypropan-2-yl)oxan-3-yl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[(3R,6S)-6-(2-hydroxypropan-2-yl)oxan-3-yl]imidazo[1,2-a]pyridine-6-carboxamide (CID 164610994) is 2-(2-fluorophenyl)-N-[(3R,6S)-6-(2-hydroxypropan-2-yl)oxan-3-yl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[(3R,6S)-6-(2-hydroxypropan-2-yl)oxan-3-yl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[(3R,6S)-6-(2-hydroxypropan-2-yl)oxan-3-yl]imidazo[1,2-a]pyridine-6-carboxamide is CC(C)(O)[C@@H]1CC[C@@H](NC(=O)c2ccc3nc(-c4ccccc4F)cn3c2)CO1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[(3R,6S)-6-(2-hydroxypropan-2-yl)oxan-3-yl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is UHTJVMDEKRCYRP-BEFAXECRSA-N. The full InChI is InChI=1S/C22H24FN3O3/c1-22(2,28)19-9-8-15(13-29-19)24-21(27)14-7-10-20-25-18(12-26(20)11-14)16-5-3-4-6-17(16)23/h3-7,10-12,15,19,28H,8-9,13H2,1-2H3,(H,24,27)/t15-,19+/m1/s1.
What are the key properties of 2-(2-fluorophenyl)-N-[(3R,6S)-6-(2-hydroxypropan-2-yl)oxan-3-yl]imidazo[1,2-a]pyridine-6-carboxamide?
2-(2-fluorophenyl)-N-[(3R,6S)-6-(2-hydroxypropan-2-yl)oxan-3-yl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 397.45 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[(3R,6S)-6-(2-hydroxypropan-2-yl)oxan-3-yl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 164610994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).