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

C20H14F5N5O2 — CID 164520312

IUPACcis-(1S,2S)-2-fluoro-N-[6-[6-fluoro-5-methyl-7-(trifluoromethoxy)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
SMILESCc1c(F)c(OC(F)(F)F)c2[nH]ncc2c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1
InChIInChI=1S/C20H14F5N5O2/c1-8-15(11-5-26-29-17(11)18(16(8)22)32-20(23,24)25)9-2-3-14-27-13(7-30(14)6-9)28-19(31)10-4-12(10)21/h2-3,5-7,10,12H,4H2,1H3,(H,26,29)(H,28,31)/t10-,12+/m1/s1
InChIKeyLBNUZPWGXKYXJU-PWSUYJOCSA-N
MW451.36 g/mol
LogP4.52
Rot. Bonds4

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

cis-(1S,2S)-2-fluoro-N-[6-[6-fluoro-5-methyl-7-(trifluoromethoxy)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide (PubChem CID 164520312) has the molecular formula C20H14F5N5O2 and a molecular weight of 451.36 g/mol. Its IUPAC name is cis-(1S,2S)-2-fluoro-N-[6-[6-fluoro-5-methyl-7-(trifluoromethoxy)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-2-fluoro-N-[6-[6-fluoro-5-methyl-7-(trifluoromethoxy)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
PubChem CID164520312
Molecular FormulaC20H14F5N5O2
Molecular Weight451.36 g/mol
Exact Mass451.11
IUPAC Namecis-(1S,2S)-2-fluoro-N-[6-[6-fluoro-5-methyl-7-(trifluoromethoxy)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
SMILESCc1c(F)c(OC(F)(F)F)c2[nH]ncc2c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1
InChIInChI=1S/C20H14F5N5O2/c1-8-15(11-5-26-29-17(11)18(16(8)22)32-20(23,24)25)9-2-3-14-27-13(7-30(14)6-9)28-19(31)10-4-12(10)21/h2-3,5-7,10,12H,4H2,1H3,(H,26,29)(H,28,31)/t10-,12+/m1/s1
InChIKeyLBNUZPWGXKYXJU-PWSUYJOCSA-N
XLogP4.52
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.36
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-fluoro-N-[6-[6-fluoro-5-methyl-7-(trifluoromethoxy)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-2-fluoro-N-[6-[6-fluoro-5-methyl-7-(trifluoromethoxy)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide (CID 164520312) is cis-(1S,2S)-2-fluoro-N-[6-[6-fluoro-5-methyl-7-(trifluoromethoxy)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-2-fluoro-N-[6-[6-fluoro-5-methyl-7-(trifluoromethoxy)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-2-fluoro-N-[6-[6-fluoro-5-methyl-7-(trifluoromethoxy)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide is Cc1c(F)c(OC(F)(F)F)c2[nH]ncc2c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)cn2c1.
What is the InChIKey of cis-(1S,2S)-2-fluoro-N-[6-[6-fluoro-5-methyl-7-(trifluoromethoxy)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide?
The InChIKey is LBNUZPWGXKYXJU-PWSUYJOCSA-N. The full InChI is InChI=1S/C20H14F5N5O2/c1-8-15(11-5-26-29-17(11)18(16(8)22)32-20(23,24)25)9-2-3-14-27-13(7-30(14)6-9)28-19(31)10-4-12(10)21/h2-3,5-7,10,12H,4H2,1H3,(H,26,29)(H,28,31)/t10-,12+/m1/s1.
What are the key properties of cis-(1S,2S)-2-fluoro-N-[6-[6-fluoro-5-methyl-7-(trifluoromethoxy)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide?
cis-(1S,2S)-2-fluoro-N-[6-[6-fluoro-5-methyl-7-(trifluoromethoxy)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide has a molecular weight of 451.36 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-fluoro-N-[6-[6-fluoro-5-methyl-7-(trifluoromethoxy)-1H-indazol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 164520312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).