trans-(1R,2S)-2-fluoro-N-[6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide

C18H15F2N3O — CID 155081931

About trans-(1R,2S)-2-fluoro-N-[6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide

trans-(1R,2S)-2-fluoro-N-[6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide (PubChem CID 155081931) has the molecular formula C18H15F2N3O and a molecular weight of 327.33 g/mol. Its IUPAC name is trans-(1R,2S)-2-fluoro-N-[6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: trans-(1R,2S)-2-fluoro-N-[6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
• PubChem CID: 155081931
• Molecular Formula: C18H15F2N3O
• Molecular Weight: 327.33 g/mol
• Exact Mass: 327.12
• IUPAC Name: trans-(1R,2S)-2-fluoro-N-[6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
• SMILES: Cc1c(F)cccc1-c1ccc2nc(NC(=O)[C@H]3C[C@@H]3F)cn2c1
• InChI: InChI=1S/C18H15F2N3O/c1-10-12(3-2-4-14(10)19)11-5-6-17-21-16(9-23(17)8-11)22-18(24)13-7-15(13)20/h2-6,8-9,13,15H,7H2,1H3,(H,22,24)/t13-,15-/m0/s1
• InChIKey: RZTAEHWCIYEGBS-ZFWWWQNUSA-N
• XLogP: 3.75
• TPSA: 46.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.33
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-fluoro-N-[6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide?

The IUPAC name of trans-(1R,2S)-2-fluoro-N-[6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide (CID 155081931) is trans-(1R,2S)-2-fluoro-N-[6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide.

What is the SMILES notation for trans-(1R,2S)-2-fluoro-N-[6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide?

The canonical SMILES for trans-(1R,2S)-2-fluoro-N-[6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide is Cc1c(F)cccc1-c1ccc2nc(NC(=O)[C@H]3C[C@@H]3F)cn2c1.

What is the InChIKey of trans-(1R,2S)-2-fluoro-N-[6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide?

The InChIKey is RZTAEHWCIYEGBS-ZFWWWQNUSA-N. The full InChI is InChI=1S/C18H15F2N3O/c1-10-12(3-2-4-14(10)19)11-5-6-17-21-16(9-23(17)8-11)22-18(24)13-7-15(13)20/h2-6,8-9,13,15H,7H2,1H3,(H,22,24)/t13-,15-/m0/s1.

What are the key properties of trans-(1R,2S)-2-fluoro-N-[6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide?

trans-(1R,2S)-2-fluoro-N-[6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide has a molecular weight of 327.33 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1R,2S)-2-fluoro-N-[6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 155081931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).