N-[5-[2-[butyl(ethyl)amino]ethylcarbamoyl]-2-fluorophenyl]-7-[3-fluoro-4-(2-hydroxyethylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide

C32H36F2N6O4 — CID 71283402

IUPACN-[5-[2-[butyl(ethyl)amino]ethylcarbamoyl]-2-fluorophenyl]-7-[3-fluoro-4-(2-hydroxyethylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCCN(CC)CCNC(=O)c1ccc(F)c(NC(=O)c2cnc3cc(-c4ccc(C(=O)NCCO)c(F)c4)ccn23)c1
InChIInChI=1S/C32H36F2N6O4/c1-3-5-13-39(4-2)15-11-35-30(42)23-7-9-25(33)27(18-23)38-32(44)28-20-37-29-19-22(10-14-40(28)29)21-6-8-24(26(34)17-21)31(43)36-12-16-41/h6-10,14,17-20,41H,3-5,11-13,15-16H2,1-2H3,(H,35,42)(H,36,43)(H,38,44)
InChIKeyCKMNZOBOHWCVLZ-UHFFFAOYSA-N
MW606.67 g/mol
LogP4.11
Rot. Bonds14

About N-[5-[2-[butyl(ethyl)amino]ethylcarbamoyl]-2-fluorophenyl]-7-[3-fluoro-4-(2-hydroxyethylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[5-[2-[butyl(ethyl)amino]ethylcarbamoyl]-2-fluorophenyl]-7-[3-fluoro-4-(2-hydroxyethylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71283402) has the molecular formula C32H36F2N6O4 and a molecular weight of 606.67 g/mol. Its IUPAC name is N-[5-[2-[butyl(ethyl)amino]ethylcarbamoyl]-2-fluorophenyl]-7-[3-fluoro-4-(2-hydroxyethylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[2-[butyl(ethyl)amino]ethylcarbamoyl]-2-fluorophenyl]-7-[3-fluoro-4-(2-hydroxyethylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID71283402
Molecular FormulaC32H36F2N6O4
Molecular Weight606.67 g/mol
Exact Mass606.28
IUPAC NameN-[5-[2-[butyl(ethyl)amino]ethylcarbamoyl]-2-fluorophenyl]-7-[3-fluoro-4-(2-hydroxyethylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCCN(CC)CCNC(=O)c1ccc(F)c(NC(=O)c2cnc3cc(-c4ccc(C(=O)NCCO)c(F)c4)ccn23)c1
InChIInChI=1S/C32H36F2N6O4/c1-3-5-13-39(4-2)15-11-35-30(42)23-7-9-25(33)27(18-23)38-32(44)28-20-37-29-19-22(10-14-40(28)29)21-6-8-24(26(34)17-21)31(43)36-12-16-41/h6-10,14,17-20,41H,3-5,11-13,15-16H2,1-2H3,(H,35,42)(H,36,43)(H,38,44)
InChIKeyCKMNZOBOHWCVLZ-UHFFFAOYSA-N
XLogP4.11
TPSA128.07 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500606.67
LogP ≤ 54.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[butyl(ethyl)amino]ethylcarbamoyl]-2-fluorophenyl]-7-[3-fluoro-4-(2-hydroxyethylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-[2-[butyl(ethyl)amino]ethylcarbamoyl]-2-fluorophenyl]-7-[3-fluoro-4-(2-hydroxyethylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 71283402) is N-[5-[2-[butyl(ethyl)amino]ethylcarbamoyl]-2-fluorophenyl]-7-[3-fluoro-4-(2-hydroxyethylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[2-[butyl(ethyl)amino]ethylcarbamoyl]-2-fluorophenyl]-7-[3-fluoro-4-(2-hydroxyethylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[2-[butyl(ethyl)amino]ethylcarbamoyl]-2-fluorophenyl]-7-[3-fluoro-4-(2-hydroxyethylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide is CCCCN(CC)CCNC(=O)c1ccc(F)c(NC(=O)c2cnc3cc(-c4ccc(C(=O)NCCO)c(F)c4)ccn23)c1.
What is the InChIKey of N-[5-[2-[butyl(ethyl)amino]ethylcarbamoyl]-2-fluorophenyl]-7-[3-fluoro-4-(2-hydroxyethylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is CKMNZOBOHWCVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36F2N6O4/c1-3-5-13-39(4-2)15-11-35-30(42)23-7-9-25(33)27(18-23)38-32(44)28-20-37-29-19-22(10-14-40(28)29)21-6-8-24(26(34)17-21)31(43)36-12-16-41/h6-10,14,17-20,41H,3-5,11-13,15-16H2,1-2H3,(H,35,42)(H,36,43)(H,38,44).
What are the key properties of N-[5-[2-[butyl(ethyl)amino]ethylcarbamoyl]-2-fluorophenyl]-7-[3-fluoro-4-(2-hydroxyethylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[5-[2-[butyl(ethyl)amino]ethylcarbamoyl]-2-fluorophenyl]-7-[3-fluoro-4-(2-hydroxyethylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 606.67 g/mol, XLogP of 4.11, 14 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[butyl(ethyl)amino]ethylcarbamoyl]-2-fluorophenyl]-7-[3-fluoro-4-(2-hydroxyethylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71283402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).