3-chloro-N-[2-[(3,3-dimethylcyclobutyl)amino]-2-oxoethyl]-6-(furan-3-yl)-N-(2-hydroxyethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide

C23H24ClF3N4O4 — CID 67085272

IUPAC3-chloro-N-[2-[(3,3-dimethylcyclobutyl)amino]-2-oxoethyl]-6-(furan-3-yl)-N-(2-hydroxyethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCC1(C)CC(NC(=O)CN(CCO)C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)C1
InChIInChI=1S/C23H24ClF3N4O4/c1-22(2)8-15(9-22)28-17(33)11-30(4-5-32)21(34)18-19(24)31-10-14(13-3-6-35-12-13)7-16(20(31)29-18)23(25,26)27/h3,6-7,10,12,15,32H,4-5,8-9,11H2,1-2H3,(H,28,33)
InChIKeyPLIZKBHYMASOOR-UHFFFAOYSA-N
MW512.92 g/mol
LogP4.01
Rot. Bonds7

About 3-chloro-N-[2-[(3,3-dimethylcyclobutyl)amino]-2-oxoethyl]-6-(furan-3-yl)-N-(2-hydroxyethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide

3-chloro-N-[2-[(3,3-dimethylcyclobutyl)amino]-2-oxoethyl]-6-(furan-3-yl)-N-(2-hydroxyethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 67085272) has the molecular formula C23H24ClF3N4O4 and a molecular weight of 512.92 g/mol. Its IUPAC name is 3-chloro-N-[2-[(3,3-dimethylcyclobutyl)amino]-2-oxoethyl]-6-(furan-3-yl)-N-(2-hydroxyethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-[(3,3-dimethylcyclobutyl)amino]-2-oxoethyl]-6-(furan-3-yl)-N-(2-hydroxyethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID67085272
Molecular FormulaC23H24ClF3N4O4
Molecular Weight512.92 g/mol
Exact Mass512.14
IUPAC Name3-chloro-N-[2-[(3,3-dimethylcyclobutyl)amino]-2-oxoethyl]-6-(furan-3-yl)-N-(2-hydroxyethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCC1(C)CC(NC(=O)CN(CCO)C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)C1
InChIInChI=1S/C23H24ClF3N4O4/c1-22(2)8-15(9-22)28-17(33)11-30(4-5-32)21(34)18-19(24)31-10-14(13-3-6-35-12-13)7-16(20(31)29-18)23(25,26)27/h3,6-7,10,12,15,32H,4-5,8-9,11H2,1-2H3,(H,28,33)
InChIKeyPLIZKBHYMASOOR-UHFFFAOYSA-N
XLogP4.01
TPSA100.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.92
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-chloro-N-[2-[(3,3-dimethylcyclobutyl)amino]-2-oxoethyl]-6-(furan-3-yl)-N-(2-hydroxyethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[(3,3-dimethylcyclobutyl)amino]-2-oxoethyl]-6-(furan-3-yl)-N-(2-hydroxyethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-[(3,3-dimethylcyclobutyl)amino]-2-oxoethyl]-6-(furan-3-yl)-N-(2-hydroxyethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide (CID 67085272) is 3-chloro-N-[2-[(3,3-dimethylcyclobutyl)amino]-2-oxoethyl]-6-(furan-3-yl)-N-(2-hydroxyethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-[(3,3-dimethylcyclobutyl)amino]-2-oxoethyl]-6-(furan-3-yl)-N-(2-hydroxyethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-[(3,3-dimethylcyclobutyl)amino]-2-oxoethyl]-6-(furan-3-yl)-N-(2-hydroxyethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide is CC1(C)CC(NC(=O)CN(CCO)C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)C1.
What is the InChIKey of 3-chloro-N-[2-[(3,3-dimethylcyclobutyl)amino]-2-oxoethyl]-6-(furan-3-yl)-N-(2-hydroxyethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is PLIZKBHYMASOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF3N4O4/c1-22(2)8-15(9-22)28-17(33)11-30(4-5-32)21(34)18-19(24)31-10-14(13-3-6-35-12-13)7-16(20(31)29-18)23(25,26)27/h3,6-7,10,12,15,32H,4-5,8-9,11H2,1-2H3,(H,28,33).
What are the key properties of 3-chloro-N-[2-[(3,3-dimethylcyclobutyl)amino]-2-oxoethyl]-6-(furan-3-yl)-N-(2-hydroxyethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
3-chloro-N-[2-[(3,3-dimethylcyclobutyl)amino]-2-oxoethyl]-6-(furan-3-yl)-N-(2-hydroxyethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 512.92 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[(3,3-dimethylcyclobutyl)amino]-2-oxoethyl]-6-(furan-3-yl)-N-(2-hydroxyethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 67085272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).