(2-amino-6-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone

C15H12FN3OS — CID 164709581

IUPAC(2-amino-6-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone
SMILESNc1nc2ccc(-c3cccs3)cn2c1C(=O)[C@@H]1C[C@@H]1F
InChIInChI=1S/C15H12FN3OS/c16-10-6-9(10)14(20)13-15(17)18-12-4-3-8(7-19(12)13)11-2-1-5-21-11/h1-5,7,9-10H,6,17H2/t9-,10+/m1/s1
InChIKeyLFEPESYTMOZGRB-ZJUUUORDSA-N
MW301.35 g/mol
LogP3.19
Rot. Bonds3

About (2-amino-6-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone

(2-amino-6-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone (PubChem CID 164709581) has the molecular formula C15H12FN3OS and a molecular weight of 301.35 g/mol. Its IUPAC name is (2-amino-6-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone.

Molecular Properties

Compound Name(2-amino-6-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone
PubChem CID164709581
Molecular FormulaC15H12FN3OS
Molecular Weight301.35 g/mol
Exact Mass301.07
IUPAC Name(2-amino-6-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone
SMILESNc1nc2ccc(-c3cccs3)cn2c1C(=O)[C@@H]1C[C@@H]1F
InChIInChI=1S/C15H12FN3OS/c16-10-6-9(10)14(20)13-15(17)18-12-4-3-8(7-19(12)13)11-2-1-5-21-11/h1-5,7,9-10H,6,17H2/t9-,10+/m1/s1
InChIKeyLFEPESYTMOZGRB-ZJUUUORDSA-N
XLogP3.19
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-amino-6-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone?
The IUPAC name of (2-amino-6-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone (CID 164709581) is (2-amino-6-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone.
What is the SMILES notation for (2-amino-6-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone?
The canonical SMILES for (2-amino-6-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone is Nc1nc2ccc(-c3cccs3)cn2c1C(=O)[C@@H]1C[C@@H]1F.
What is the InChIKey of (2-amino-6-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone?
The InChIKey is LFEPESYTMOZGRB-ZJUUUORDSA-N. The full InChI is InChI=1S/C15H12FN3OS/c16-10-6-9(10)14(20)13-15(17)18-12-4-3-8(7-19(12)13)11-2-1-5-21-11/h1-5,7,9-10H,6,17H2/t9-,10+/m1/s1.
What are the key properties of (2-amino-6-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone?
(2-amino-6-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone has a molecular weight of 301.35 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-[(1S,2S)-2-fluorocyclopropyl]methanone is sourced from PubChem (CID 164709581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).