cis-(1S,2S)-2-fluoro-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide

C18H13F4N3O — CID 155081988

About cis-(1S,2S)-2-fluoro-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide

cis-(1S,2S)-2-fluoro-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide (PubChem CID 155081988) has the molecular formula C18H13F4N3O and a molecular weight of 363.31 g/mol. Its IUPAC name is cis-(1S,2S)-2-fluoro-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1S,2S)-2-fluoro-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
• PubChem CID: 155081988
• Molecular Formula: C18H13F4N3O
• Molecular Weight: 363.31 g/mol
• Exact Mass: 363.10
• IUPAC Name: cis-(1S,2S)-2-fluoro-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
• SMILES: O=C(Nc1cn2cc(-c3ccccc3C(F)(F)F)ccc2n1)[C@@H]1C[C@@H]1F
• InChI: InChI=1S/C18H13F4N3O/c19-14-7-12(14)17(26)24-15-9-25-8-10(5-6-16(25)23-15)11-3-1-2-4-13(11)18(20,21)22/h1-6,8-9,12,14H,7H2,(H,24,26)/t12-,14+/m1/s1
• InChIKey: ICZWAAFXIPYVLI-OCCSQVGLSA-N
• XLogP: 4.32
• TPSA: 46.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.31
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-fluoro-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide?

The IUPAC name of cis-(1S,2S)-2-fluoro-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide (CID 155081988) is cis-(1S,2S)-2-fluoro-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide.

What is the SMILES notation for cis-(1S,2S)-2-fluoro-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide?

The canonical SMILES for cis-(1S,2S)-2-fluoro-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide is O=C(Nc1cn2cc(-c3ccccc3C(F)(F)F)ccc2n1)[C@@H]1C[C@@H]1F.

What is the InChIKey of cis-(1S,2S)-2-fluoro-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide?

The InChIKey is ICZWAAFXIPYVLI-OCCSQVGLSA-N. The full InChI is InChI=1S/C18H13F4N3O/c19-14-7-12(14)17(26)24-15-9-25-8-10(5-6-16(25)23-15)11-3-1-2-4-13(11)18(20,21)22/h1-6,8-9,12,14H,7H2,(H,24,26)/t12-,14+/m1/s1.

What are the key properties of cis-(1S,2S)-2-fluoro-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide?

cis-(1S,2S)-2-fluoro-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide has a molecular weight of 363.31 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,2S)-2-fluoro-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 155081988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).