cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(trifluoromethoxy)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide

C19H11ClF5N5O2 — CID 164520438

IUPACcis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(trifluoromethoxy)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESO=C(Nc1cn2cc(-c3c(Cl)c(F)c(OC(F)(F)F)c4[nH]ncc34)ccc2n1)[C@@H]1C[C@@H]1F
InChIInChI=1S/C19H11ClF5N5O2/c20-14-13(9-4-26-29-16(9)17(15(14)22)32-19(23,24)25)7-1-2-12-27-11(6-30(12)5-7)28-18(31)8-3-10(8)21/h1-2,4-6,8,10H,3H2,(H,26,29)(H,28,31)/t8-,10+/m1/s1
InChIKeyFGPXEVXPNAJUJL-SCZZXKLOSA-N
MW471.77 g/mol
LogP4.87
Rot. Bonds4

About cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(trifluoromethoxy)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide

cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(trifluoromethoxy)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 164520438) has the molecular formula C19H11ClF5N5O2 and a molecular weight of 471.77 g/mol. Its IUPAC name is cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(trifluoromethoxy)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(trifluoromethoxy)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID164520438
Molecular FormulaC19H11ClF5N5O2
Molecular Weight471.77 g/mol
Exact Mass471.05
IUPAC Namecis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(trifluoromethoxy)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
SMILESO=C(Nc1cn2cc(-c3c(Cl)c(F)c(OC(F)(F)F)c4[nH]ncc34)ccc2n1)[C@@H]1C[C@@H]1F
InChIInChI=1S/C19H11ClF5N5O2/c20-14-13(9-4-26-29-16(9)17(15(14)22)32-19(23,24)25)7-1-2-12-27-11(6-30(12)5-7)28-18(31)8-3-10(8)21/h1-2,4-6,8,10H,3H2,(H,26,29)(H,28,31)/t8-,10+/m1/s1
InChIKeyFGPXEVXPNAJUJL-SCZZXKLOSA-N
XLogP4.87
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.77
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(trifluoromethoxy)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(trifluoromethoxy)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide (CID 164520438) is cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(trifluoromethoxy)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(trifluoromethoxy)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(trifluoromethoxy)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is O=C(Nc1cn2cc(-c3c(Cl)c(F)c(OC(F)(F)F)c4[nH]ncc34)ccc2n1)[C@@H]1C[C@@H]1F.
What is the InChIKey of cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(trifluoromethoxy)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is FGPXEVXPNAJUJL-SCZZXKLOSA-N. The full InChI is InChI=1S/C19H11ClF5N5O2/c20-14-13(9-4-26-29-16(9)17(15(14)22)32-19(23,24)25)7-1-2-12-27-11(6-30(12)5-7)28-18(31)8-3-10(8)21/h1-2,4-6,8,10H,3H2,(H,26,29)(H,28,31)/t8-,10+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(trifluoromethoxy)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(trifluoromethoxy)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 471.77 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-[6-[5-chloro-6-fluoro-7-(trifluoromethoxy)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 164520438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).