cis-(1S,2S)-2-fluoro-N-[6-(5-methyl-1,3-benzoxazol-6-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide

C19H15FN4O2 — CID 155069353

IUPACcis-(1S,2S)-2-fluoro-N-[6-(5-methyl-1,3-benzoxazol-6-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
SMILESCc1cc2ncoc2cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1
InChIInChI=1S/C19H15FN4O2/c1-10-4-15-16(26-9-21-15)6-12(10)11-2-3-18-22-17(8-24(18)7-11)23-19(25)13-5-14(13)20/h2-4,6-9,13-14H,5H2,1H3,(H,23,25)/t13-,14+/m1/s1
InChIKeySWKJOQOHQVDLNH-KGLIPLIRSA-N
MW350.35 g/mol
LogP3.75
Rot. Bonds3

About cis-(1S,2S)-2-fluoro-N-[6-(5-methyl-1,3-benzoxazol-6-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide

cis-(1S,2S)-2-fluoro-N-[6-(5-methyl-1,3-benzoxazol-6-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide (PubChem CID 155069353) has the molecular formula C19H15FN4O2 and a molecular weight of 350.35 g/mol. Its IUPAC name is cis-(1S,2S)-2-fluoro-N-[6-(5-methyl-1,3-benzoxazol-6-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-2-fluoro-N-[6-(5-methyl-1,3-benzoxazol-6-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
PubChem CID155069353
Molecular FormulaC19H15FN4O2
Molecular Weight350.35 g/mol
Exact Mass350.12
IUPAC Namecis-(1S,2S)-2-fluoro-N-[6-(5-methyl-1,3-benzoxazol-6-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
SMILESCc1cc2ncoc2cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1
InChIInChI=1S/C19H15FN4O2/c1-10-4-15-16(26-9-21-15)6-12(10)11-2-3-18-22-17(8-24(18)7-11)23-19(25)13-5-14(13)20/h2-4,6-9,13-14H,5H2,1H3,(H,23,25)/t13-,14+/m1/s1
InChIKeySWKJOQOHQVDLNH-KGLIPLIRSA-N
XLogP3.75
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-fluoro-N-[6-(5-methyl-1,3-benzoxazol-6-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-2-fluoro-N-[6-(5-methyl-1,3-benzoxazol-6-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide (CID 155069353) is cis-(1S,2S)-2-fluoro-N-[6-(5-methyl-1,3-benzoxazol-6-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-2-fluoro-N-[6-(5-methyl-1,3-benzoxazol-6-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-2-fluoro-N-[6-(5-methyl-1,3-benzoxazol-6-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide is Cc1cc2ncoc2cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1.
What is the InChIKey of cis-(1S,2S)-2-fluoro-N-[6-(5-methyl-1,3-benzoxazol-6-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide?
The InChIKey is SWKJOQOHQVDLNH-KGLIPLIRSA-N. The full InChI is InChI=1S/C19H15FN4O2/c1-10-4-15-16(26-9-21-15)6-12(10)11-2-3-18-22-17(8-24(18)7-11)23-19(25)13-5-14(13)20/h2-4,6-9,13-14H,5H2,1H3,(H,23,25)/t13-,14+/m1/s1.
What are the key properties of cis-(1S,2S)-2-fluoro-N-[6-(5-methyl-1,3-benzoxazol-6-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide?
cis-(1S,2S)-2-fluoro-N-[6-(5-methyl-1,3-benzoxazol-6-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide has a molecular weight of 350.35 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-fluoro-N-[6-(5-methyl-1,3-benzoxazol-6-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 155069353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).