N-[2-[(3R)-3-(2-amino-2-oxoethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]ethyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide

C27H23F4N5O3 — CID 164910696

IUPACN-[2-[(3R)-3-(2-amino-2-oxoethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]ethyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESC[C@]1(CC(N)=O)COc2c1cc(CCNC(=O)c1ccc3nc(C(F)(F)F)cn3c1)nc2-c1ccc(F)cc1
InChIInChI=1S/C27H23F4N5O3/c1-26(11-21(32)37)14-39-24-19(26)10-18(34-23(24)15-2-5-17(28)6-3-15)8-9-33-25(38)16-4-7-22-35-20(27(29,30)31)13-36(22)12-16/h2-7,10,12-13H,8-9,11,14H2,1H3,(H2,32,37)(H,33,38)/t26-/m0/s1
InChIKeyQKIQXULQUSRADB-SANMLTNESA-N
MW541.51 g/mol
LogP4.05
Rot. Bonds7

About N-[2-[(3R)-3-(2-amino-2-oxoethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]ethyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide

N-[2-[(3R)-3-(2-amino-2-oxoethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]ethyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 164910696) has the molecular formula C27H23F4N5O3 and a molecular weight of 541.51 g/mol. Its IUPAC name is N-[2-[(3R)-3-(2-amino-2-oxoethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]ethyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[2-[(3R)-3-(2-amino-2-oxoethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]ethyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID164910696
Molecular FormulaC27H23F4N5O3
Molecular Weight541.51 g/mol
Exact Mass541.17
IUPAC NameN-[2-[(3R)-3-(2-amino-2-oxoethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]ethyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESC[C@]1(CC(N)=O)COc2c1cc(CCNC(=O)c1ccc3nc(C(F)(F)F)cn3c1)nc2-c1ccc(F)cc1
InChIInChI=1S/C27H23F4N5O3/c1-26(11-21(32)37)14-39-24-19(26)10-18(34-23(24)15-2-5-17(28)6-3-15)8-9-33-25(38)16-4-7-22-35-20(27(29,30)31)13-36(22)12-16/h2-7,10,12-13H,8-9,11,14H2,1H3,(H2,32,37)(H,33,38)/t26-/m0/s1
InChIKeyQKIQXULQUSRADB-SANMLTNESA-N
XLogP4.05
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.51
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-3-(2-amino-2-oxoethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]ethyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[2-[(3R)-3-(2-amino-2-oxoethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]ethyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide (CID 164910696) is N-[2-[(3R)-3-(2-amino-2-oxoethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]ethyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[2-[(3R)-3-(2-amino-2-oxoethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]ethyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[2-[(3R)-3-(2-amino-2-oxoethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]ethyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide is C[C@]1(CC(N)=O)COc2c1cc(CCNC(=O)c1ccc3nc(C(F)(F)F)cn3c1)nc2-c1ccc(F)cc1.
What is the InChIKey of N-[2-[(3R)-3-(2-amino-2-oxoethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]ethyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is QKIQXULQUSRADB-SANMLTNESA-N. The full InChI is InChI=1S/C27H23F4N5O3/c1-26(11-21(32)37)14-39-24-19(26)10-18(34-23(24)15-2-5-17(28)6-3-15)8-9-33-25(38)16-4-7-22-35-20(27(29,30)31)13-36(22)12-16/h2-7,10,12-13H,8-9,11,14H2,1H3,(H2,32,37)(H,33,38)/t26-/m0/s1.
What are the key properties of N-[2-[(3R)-3-(2-amino-2-oxoethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]ethyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide?
N-[2-[(3R)-3-(2-amino-2-oxoethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]ethyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 541.51 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-3-(2-amino-2-oxoethyl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]ethyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 164910696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).