[2-amino-6-(5-methyl-1,3-thiazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone

C15H13FN4OS — CID 164709571

IUPAC[2-amino-6-(5-methyl-1,3-thiazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone
SMILESCc1scnc1-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1
InChIInChI=1S/C15H13FN4OS/c1-7-12(18-6-22-7)8-2-3-11-19-15(17)13(20(11)5-8)14(21)9-4-10(9)16/h2-3,5-6,9-10H,4,17H2,1H3/t9-,10+/m1/s1
InChIKeyRCUCDTHDKHXRLX-ZJUUUORDSA-N
MW316.36 g/mol
LogP2.89
Rot. Bonds3

About [2-amino-6-(5-methyl-1,3-thiazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone

[2-amino-6-(5-methyl-1,3-thiazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone (PubChem CID 164709571) has the molecular formula C15H13FN4OS and a molecular weight of 316.36 g/mol. Its IUPAC name is [2-amino-6-(5-methyl-1,3-thiazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone.

Molecular Properties

Compound Name[2-amino-6-(5-methyl-1,3-thiazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone
PubChem CID164709571
Molecular FormulaC15H13FN4OS
Molecular Weight316.36 g/mol
Exact Mass316.08
IUPAC Name[2-amino-6-(5-methyl-1,3-thiazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone
SMILESCc1scnc1-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1
InChIInChI=1S/C15H13FN4OS/c1-7-12(18-6-22-7)8-2-3-11-19-15(17)13(20(11)5-8)14(21)9-4-10(9)16/h2-3,5-6,9-10H,4,17H2,1H3/t9-,10+/m1/s1
InChIKeyRCUCDTHDKHXRLX-ZJUUUORDSA-N
XLogP2.89
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-amino-6-(5-methyl-1,3-thiazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone?
The IUPAC name of [2-amino-6-(5-methyl-1,3-thiazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone (CID 164709571) is [2-amino-6-(5-methyl-1,3-thiazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone.
What is the SMILES notation for [2-amino-6-(5-methyl-1,3-thiazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone?
The canonical SMILES for [2-amino-6-(5-methyl-1,3-thiazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone is Cc1scnc1-c1ccc2nc(N)c(C(=O)[C@@H]3C[C@@H]3F)n2c1.
What is the InChIKey of [2-amino-6-(5-methyl-1,3-thiazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone?
The InChIKey is RCUCDTHDKHXRLX-ZJUUUORDSA-N. The full InChI is InChI=1S/C15H13FN4OS/c1-7-12(18-6-22-7)8-2-3-11-19-15(17)13(20(11)5-8)14(21)9-4-10(9)16/h2-3,5-6,9-10H,4,17H2,1H3/t9-,10+/m1/s1.
What are the key properties of [2-amino-6-(5-methyl-1,3-thiazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone?
[2-amino-6-(5-methyl-1,3-thiazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone has a molecular weight of 316.36 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-(5-methyl-1,3-thiazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone is sourced from PubChem (CID 164709571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).