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

C16H14FN3OS — CID 164709519

IUPAC[2-amino-6-(3-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone
SMILESCc1ccsc1-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1
InChIInChI=1S/C16H14FN3OS/c1-8-4-5-22-15(8)9-2-3-12-19-16(18)13(20(12)7-9)14(21)10-6-11(10)17/h2-5,7,10-11H,6,18H2,1H3/t10-,11+/m1/s1
InChIKeyXDOMBPBFBGPWFP-MNOVXSKESA-N
MW315.37 g/mol
LogP3.49
Rot. Bonds3

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

[2-amino-6-(3-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone (PubChem CID 164709519) has the molecular formula C16H14FN3OS and a molecular weight of 315.37 g/mol. Its IUPAC name is [2-amino-6-(3-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone.

Molecular Properties

Compound Name[2-amino-6-(3-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone
PubChem CID164709519
Molecular FormulaC16H14FN3OS
Molecular Weight315.37 g/mol
Exact Mass315.08
IUPAC Name[2-amino-6-(3-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone
SMILESCc1ccsc1-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1
InChIInChI=1S/C16H14FN3OS/c1-8-4-5-22-15(8)9-2-3-12-19-16(18)13(20(12)7-9)14(21)10-6-11(10)17/h2-5,7,10-11H,6,18H2,1H3/t10-,11+/m1/s1
InChIKeyXDOMBPBFBGPWFP-MNOVXSKESA-N
XLogP3.49
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-amino-6-(3-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone?
The IUPAC name of [2-amino-6-(3-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone (CID 164709519) is [2-amino-6-(3-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone.
What is the SMILES notation for [2-amino-6-(3-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone?
The canonical SMILES for [2-amino-6-(3-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone is Cc1ccsc1-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1.
What is the InChIKey of [2-amino-6-(3-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone?
The InChIKey is XDOMBPBFBGPWFP-MNOVXSKESA-N. The full InChI is InChI=1S/C16H14FN3OS/c1-8-4-5-22-15(8)9-2-3-12-19-16(18)13(20(12)7-9)14(21)10-6-11(10)17/h2-5,7,10-11H,6,18H2,1H3/t10-,11+/m1/s1.
What are the key properties of [2-amino-6-(3-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone?
[2-amino-6-(3-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone has a molecular weight of 315.37 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-(3-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone is sourced from PubChem (CID 164709519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).