cis-(1S,2S)-2-fluoro-N-[6-(2-hydroxy-2,3-dihydro-1H-indol-6-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide

C19H17FN4O2 — CID 155081981

IUPACcis-(1S,2S)-2-fluoro-N-[6-(2-hydroxy-2,3-dihydro-1H-indol-6-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1cn2cc(-c3ccc4c(c3)NC(O)C4)ccc2n1)[C@@H]1C[C@@H]1F
InChIInChI=1S/C19H17FN4O2/c20-14-7-13(14)19(26)23-16-9-24-8-12(3-4-17(24)22-16)10-1-2-11-6-18(25)21-15(11)5-10/h1-5,8-9,13-14,18,21,25H,6-7H2,(H,23,26)/t13-,14+,18?/m1/s1
InChIKeyGASMMTSSWQACJH-RMAOKOMNSA-N
MW352.37 g/mol
LogP2.58
Rot. Bonds3

About cis-(1S,2S)-2-fluoro-N-[6-(2-hydroxy-2,3-dihydro-1H-indol-6-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide

cis-(1S,2S)-2-fluoro-N-[6-(2-hydroxy-2,3-dihydro-1H-indol-6-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide (PubChem CID 155081981) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is cis-(1S,2S)-2-fluoro-N-[6-(2-hydroxy-2,3-dihydro-1H-indol-6-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-2-fluoro-N-[6-(2-hydroxy-2,3-dihydro-1H-indol-6-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
PubChem CID155081981
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Namecis-(1S,2S)-2-fluoro-N-[6-(2-hydroxy-2,3-dihydro-1H-indol-6-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1cn2cc(-c3ccc4c(c3)NC(O)C4)ccc2n1)[C@@H]1C[C@@H]1F
InChIInChI=1S/C19H17FN4O2/c20-14-7-13(14)19(26)23-16-9-24-8-12(3-4-17(24)22-16)10-1-2-11-6-18(25)21-15(11)5-10/h1-5,8-9,13-14,18,21,25H,6-7H2,(H,23,26)/t13-,14+,18?/m1/s1
InChIKeyGASMMTSSWQACJH-RMAOKOMNSA-N
XLogP2.58
TPSA78.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1S,2S)-2-fluoro-N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 154686215
2-fluoro-N-[6-(5-hydroxy-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 154686201
cis-(1S,2S)-N-[6-(2,3-dimethylphenyl)imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 155069438
cis-(1S,2S)-2-fluoro-N-[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 155081988
cis-(1S,2S)-2-fluoro-N-[6-(2-fluoro-6-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 155069451
cis-(1S,2S)-2-fluoro-N-[6-(5-methyl-1H-indol-6-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 155069370
trans-(1R,2S)-2-fluoro-N-[6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 155081931
2-fluoro-N-[6-(3-fluoro-2-hydroxyphenyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 154686207
2-fluoro-N-[6-(5-fluoro-4-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 154686390
cis-(1S,2S)-2-fluoro-N-[6-(5-methyl-2-oxo-1,3-dihydroindol-4-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 154686520
2-fluoro-N-[6-(5-methyl-2-oxo-1,3-dihydroindol-4-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 154686419
3-[2-[(2-fluorocyclopropanecarbonyl)amino]imidazo[1,2-a]pyridin-6-yl]-2,4-dimethylbenzoic acid
CID 155069366

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-fluoro-N-[6-(2-hydroxy-2,3-dihydro-1H-indol-6-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-2-fluoro-N-[6-(2-hydroxy-2,3-dihydro-1H-indol-6-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide (CID 155081981) is cis-(1S,2S)-2-fluoro-N-[6-(2-hydroxy-2,3-dihydro-1H-indol-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-(2-hydroxy-2,3-dihydro-1H-indol-6-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-2-fluoro-N-[6-(2-hydroxy-2,3-dihydro-1H-indol-6-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide is O=C(Nc1cn2cc(-c3ccc4c(c3)NC(O)C4)ccc2n1)[C@@H]1C[C@@H]1F.
What is the InChIKey of cis-(1S,2S)-2-fluoro-N-[6-(2-hydroxy-2,3-dihydro-1H-indol-6-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide?
The InChIKey is GASMMTSSWQACJH-RMAOKOMNSA-N. The full InChI is InChI=1S/C19H17FN4O2/c20-14-7-13(14)19(26)23-16-9-24-8-12(3-4-17(24)22-16)10-1-2-11-6-18(25)21-15(11)5-10/h1-5,8-9,13-14,18,21,25H,6-7H2,(H,23,26)/t13-,14+,18?/m1/s1.
What are the key properties of cis-(1S,2S)-2-fluoro-N-[6-(2-hydroxy-2,3-dihydro-1H-indol-6-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide?
cis-(1S,2S)-2-fluoro-N-[6-(2-hydroxy-2,3-dihydro-1H-indol-6-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide has a molecular weight of 352.37 g/mol, XLogP of 2.58, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-fluoro-N-[6-(2-hydroxy-2,3-dihydro-1H-indol-6-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 155081981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).