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

C18H15F2N3O — CID 155069451

IUPACcis-(1S,2S)-2-fluoro-N-[6-(2-fluoro-6-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
SMILESCc1cccc(F)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1
InChIInChI=1S/C18H15F2N3O/c1-10-3-2-4-13(19)17(10)11-5-6-16-21-15(9-23(16)8-11)22-18(24)12-7-14(12)20/h2-6,8-9,12,14H,7H2,1H3,(H,22,24)/t12-,14+/m1/s1
InChIKeyWUPCVZSLTYWKFZ-OCCSQVGLSA-N
MW327.33 g/mol
LogP3.75
Rot. Bonds3

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

cis-(1S,2S)-2-fluoro-N-[6-(2-fluoro-6-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide (PubChem CID 155069451) has the molecular formula C18H15F2N3O and a molecular weight of 327.33 g/mol. Its IUPAC name is cis-(1S,2S)-2-fluoro-N-[6-(2-fluoro-6-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-2-fluoro-N-[6-(2-fluoro-6-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
PubChem CID155069451
Molecular FormulaC18H15F2N3O
Molecular Weight327.33 g/mol
Exact Mass327.12
IUPAC Namecis-(1S,2S)-2-fluoro-N-[6-(2-fluoro-6-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
SMILESCc1cccc(F)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1
InChIInChI=1S/C18H15F2N3O/c1-10-3-2-4-13(19)17(10)11-5-6-16-21-15(9-23(16)8-11)22-18(24)12-7-14(12)20/h2-6,8-9,12,14H,7H2,1H3,(H,22,24)/t12-,14+/m1/s1
InChIKeyWUPCVZSLTYWKFZ-OCCSQVGLSA-N
XLogP3.75
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-fluoro-N-[6-(2-fluoro-6-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-2-fluoro-N-[6-(2-fluoro-6-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide (CID 155069451) is cis-(1S,2S)-2-fluoro-N-[6-(2-fluoro-6-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-2-fluoro-N-[6-(2-fluoro-6-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-2-fluoro-N-[6-(2-fluoro-6-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide is Cc1cccc(F)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1.
What is the InChIKey of cis-(1S,2S)-2-fluoro-N-[6-(2-fluoro-6-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide?
The InChIKey is WUPCVZSLTYWKFZ-OCCSQVGLSA-N. The full InChI is InChI=1S/C18H15F2N3O/c1-10-3-2-4-13(19)17(10)11-5-6-16-21-15(9-23(16)8-11)22-18(24)12-7-14(12)20/h2-6,8-9,12,14H,7H2,1H3,(H,22,24)/t12-,14+/m1/s1.
What are the key properties of cis-(1S,2S)-2-fluoro-N-[6-(2-fluoro-6-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide?
cis-(1S,2S)-2-fluoro-N-[6-(2-fluoro-6-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 cis-(1S,2S)-2-fluoro-N-[6-(2-fluoro-6-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 155069451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).