N-[2-[(3S)-3-(2-amino-2-oxoethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-fluoro-2-(fluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide

C27H21F6N5O3 — CID 164910470

IUPACN-[2-[(3S)-3-(2-amino-2-oxoethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-fluoro-2-(fluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESNC(=O)C[C@@H]1COc2c1cc(C(CNC(=O)c1cc(F)c3nc(CF)cn3c1)C(F)(F)F)nc2-c1ccc(F)cc1
InChIInChI=1S/C27H21F6N5O3/c28-8-17-11-38-10-14(5-20(30)25(38)36-17)26(40)35-9-19(27(31,32)33)21-7-18-15(6-22(34)39)12-41-24(18)23(37-21)13-1-3-16(29)4-2-13/h1-5,7,10-11,15,19H,6,8-9,12H2,(H2,34,39)(H,35,40)/t15-,19?/m1/s1
InChIKeyAQURPVACGHDKBO-NYRJJRHWSA-N
MW577.49 g/mol
LogP4.57
Rot. Bonds8

About N-[2-[(3S)-3-(2-amino-2-oxoethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-fluoro-2-(fluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide

N-[2-[(3S)-3-(2-amino-2-oxoethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-fluoro-2-(fluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 164910470) has the molecular formula C27H21F6N5O3 and a molecular weight of 577.49 g/mol. Its IUPAC name is N-[2-[(3S)-3-(2-amino-2-oxoethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-fluoro-2-(fluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[2-[(3S)-3-(2-amino-2-oxoethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-fluoro-2-(fluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID164910470
Molecular FormulaC27H21F6N5O3
Molecular Weight577.49 g/mol
Exact Mass577.15
IUPAC NameN-[2-[(3S)-3-(2-amino-2-oxoethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-fluoro-2-(fluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESNC(=O)C[C@@H]1COc2c1cc(C(CNC(=O)c1cc(F)c3nc(CF)cn3c1)C(F)(F)F)nc2-c1ccc(F)cc1
InChIInChI=1S/C27H21F6N5O3/c28-8-17-11-38-10-14(5-20(30)25(38)36-17)26(40)35-9-19(27(31,32)33)21-7-18-15(6-22(34)39)12-41-24(18)23(37-21)13-1-3-16(29)4-2-13/h1-5,7,10-11,15,19H,6,8-9,12H2,(H2,34,39)(H,35,40)/t15-,19?/m1/s1
InChIKeyAQURPVACGHDKBO-NYRJJRHWSA-N
XLogP4.57
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.49
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[(3S)-3-(2-amino-2-oxoethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-fluoro-2-(fluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-3-(2-amino-2-oxoethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-fluoro-2-(fluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[2-[(3S)-3-(2-amino-2-oxoethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-fluoro-2-(fluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide (CID 164910470) is N-[2-[(3S)-3-(2-amino-2-oxoethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-fluoro-2-(fluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[2-[(3S)-3-(2-amino-2-oxoethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-fluoro-2-(fluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[2-[(3S)-3-(2-amino-2-oxoethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-fluoro-2-(fluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide is NC(=O)C[C@@H]1COc2c1cc(C(CNC(=O)c1cc(F)c3nc(CF)cn3c1)C(F)(F)F)nc2-c1ccc(F)cc1.
What is the InChIKey of N-[2-[(3S)-3-(2-amino-2-oxoethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-fluoro-2-(fluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is AQURPVACGHDKBO-NYRJJRHWSA-N. The full InChI is InChI=1S/C27H21F6N5O3/c28-8-17-11-38-10-14(5-20(30)25(38)36-17)26(40)35-9-19(27(31,32)33)21-7-18-15(6-22(34)39)12-41-24(18)23(37-21)13-1-3-16(29)4-2-13/h1-5,7,10-11,15,19H,6,8-9,12H2,(H2,34,39)(H,35,40)/t15-,19?/m1/s1.
What are the key properties of N-[2-[(3S)-3-(2-amino-2-oxoethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-fluoro-2-(fluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide?
N-[2-[(3S)-3-(2-amino-2-oxoethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-fluoro-2-(fluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 577.49 g/mol, XLogP of 4.57, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-3-(2-amino-2-oxoethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-fluoro-2-(fluoromethyl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 164910470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).