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

C30H24F2N8O4S2 — CID 167703895

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

trans-(1R,2S)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;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 (PubChem CID 167703895) has the molecular formula C30H24F2N8O4S2 and a molecular weight of 662.70 g/mol. Its IUPAC name is trans-(1R,2S)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;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.

Molecular Properties

• Compound Name: trans-(1R,2S)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;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
• PubChem CID: 167703895
• Molecular Formula: C30H24F2N8O4S2
• Molecular Weight: 662.70 g/mol
• Exact Mass: 662.13
• IUPAC Name: trans-(1R,2S)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;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
• SMILES: O=C(Nc1nc2cccc(-c3ccc(CO)s3)n2n1)[C@H]1C[C@@H]1F.O=Cc1ccc(-c2cccc3nc(NC(=O)[C@H]4C[C@@H]4F)nn23)s1
• InChI: InChI=1S/C15H13FN4O2S.C15H11FN4O2S/c2*16-10-6-9(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);1-5,7,9-10H,6H2,(H,18,19,22)/t2*9-,10-/m00/s1
• InChIKey: YURGWJZCIDVZIN-SWNIBFGXSA-N
• XLogP: 4.81
• TPSA: 155.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	662.70
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;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?

The IUPAC name of trans-(1R,2S)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;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 167703895) is trans-(1R,2S)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;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.

What is the SMILES notation for trans-(1R,2S)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;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?

The canonical SMILES for trans-(1R,2S)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;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 is O=C(Nc1nc2cccc(-c3ccc(CO)s3)n2n1)[C@H]1C[C@@H]1F.O=Cc1ccc(-c2cccc3nc(NC(=O)[C@H]4C[C@@H]4F)nn23)s1.

What is the InChIKey of trans-(1R,2S)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;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?

The InChIKey is YURGWJZCIDVZIN-SWNIBFGXSA-N. The full InChI is InChI=1S/C15H13FN4O2S.C15H11FN4O2S/c2*16-10-6-9(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);1-5,7,9-10H,6H2,(H,18,19,22)/t2*9-,10-/m00/s1.

What are the key properties of trans-(1R,2S)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;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?

trans-(1R,2S)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;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 has a molecular weight of 662.70 g/mol, XLogP of 4.81, 8 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1R,2S)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;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 is sourced from PubChem (CID 167703895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).