trans-(1S,2R)-2-fluoro-N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide

C15H13FN4O2S — CID 155673385

IUPACtrans-(1S,2R)-2-fluoro-N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(CO)s3)n2n1)[C@@H]1C[C@H]1F
InChIInChI=1S/C15H13FN4O2S/c16-10-6-9(10)14(22)18-15-17-13-3-1-2-11(20(13)19-15)12-5-4-8(7-21)23-12/h1-5,9-10,21H,6-7H2,(H,18,19,22)/t9-,10-/m1/s1
InChIKeyJWALYBHENHERBQ-NXEZZACHSA-N
MW332.36 g/mol
LogP2.25
Rot. Bonds4

About trans-(1S,2R)-2-fluoro-N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide

trans-(1S,2R)-2-fluoro-N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide (PubChem CID 155673385) has the molecular formula C15H13FN4O2S and a molecular weight of 332.36 g/mol. Its IUPAC name is trans-(1S,2R)-2-fluoro-N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2R)-2-fluoro-N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide
PubChem CID155673385
Molecular FormulaC15H13FN4O2S
Molecular Weight332.36 g/mol
Exact Mass332.07
IUPAC Nametrans-(1S,2R)-2-fluoro-N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(CO)s3)n2n1)[C@@H]1C[C@H]1F
InChIInChI=1S/C15H13FN4O2S/c16-10-6-9(10)14(22)18-15-17-13-3-1-2-11(20(13)19-15)12-5-4-8(7-21)23-12/h1-5,9-10,21H,6-7H2,(H,18,19,22)/t9-,10-/m1/s1
InChIKeyJWALYBHENHERBQ-NXEZZACHSA-N
XLogP2.25
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze trans-(1S,2R)-2-fluoro-N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

trans-(1S,2R)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 155673382
trans-(1S,2R)-N-[5-[5-(chloromethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 155673383
trans-(1R,2S)-N-[5-[5-[(4,4-difluoropiperidin-1-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 156063065
trans-(1R,2S)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 156063067
trans-(1R,2S)-N-[5-[5-(chloromethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 156063069
cis-(1R,2R)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 156063093
2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 156063150
trans-(1R,2S)-2-fluoro-N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 156063154
trans-(1S,2R)-N-[5-[5-[(4,4-difluoropiperidin-1-yl)methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164936651
N-[5-[5-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 167104472
N-(5-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
CID 24798488
N-[5-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 42597230

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-fluoro-N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2R)-2-fluoro-N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide (CID 155673385) is trans-(1S,2R)-2-fluoro-N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2R)-2-fluoro-N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2R)-2-fluoro-N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide is O=C(Nc1nc2cccc(-c3ccc(CO)s3)n2n1)[C@@H]1C[C@H]1F.
What is the InChIKey of trans-(1S,2R)-2-fluoro-N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide?
The InChIKey is JWALYBHENHERBQ-NXEZZACHSA-N. The full InChI is InChI=1S/C15H13FN4O2S/c16-10-6-9(10)14(22)18-15-17-13-3-1-2-11(20(13)19-15)12-5-4-8(7-21)23-12/h1-5,9-10,21H,6-7H2,(H,18,19,22)/t9-,10-/m1/s1.
What are the key properties of trans-(1S,2R)-2-fluoro-N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide?
trans-(1S,2R)-2-fluoro-N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-fluoro-N-[5-[5-(hydroxymethyl)thiophen-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 155673385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).