2-[2-(cyclopentylamino)-2-oxoethyl]-N-[[1-[4-(trifluoromethyl)phenyl]cyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide

C29H33F3N4O2 — CID 70862709

IUPAC2-[2-(cyclopentylamino)-2-oxoethyl]-N-[[1-[4-(trifluoromethyl)phenyl]cyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide
SMILESO=C(Cc1cn2c(C(=O)NCC3(c4ccc(C(F)(F)F)cc4)CCCCC3)cccc2n1)NC1CCCC1
InChIInChI=1S/C29H33F3N4O2/c30-29(31,32)21-13-11-20(12-14-21)28(15-4-1-5-16-28)19-33-27(38)24-9-6-10-25-34-23(18-36(24)25)17-26(37)35-22-7-2-3-8-22/h6,9-14,18,22H,1-5,7-8,15-17,19H2,(H,33,38)(H,35,37)
InChIKeyPKDKEIMAQIYVDZ-UHFFFAOYSA-N
MW526.60 g/mol
LogP5.59
Rot. Bonds7

About 2-[2-(cyclopentylamino)-2-oxoethyl]-N-[[1-[4-(trifluoromethyl)phenyl]cyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide

2-[2-(cyclopentylamino)-2-oxoethyl]-N-[[1-[4-(trifluoromethyl)phenyl]cyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide (PubChem CID 70862709) has the molecular formula C29H33F3N4O2 and a molecular weight of 526.60 g/mol. Its IUPAC name is 2-[2-(cyclopentylamino)-2-oxoethyl]-N-[[1-[4-(trifluoromethyl)phenyl]cyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-[2-(cyclopentylamino)-2-oxoethyl]-N-[[1-[4-(trifluoromethyl)phenyl]cyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide
PubChem CID70862709
Molecular FormulaC29H33F3N4O2
Molecular Weight526.60 g/mol
Exact Mass526.26
IUPAC Name2-[2-(cyclopentylamino)-2-oxoethyl]-N-[[1-[4-(trifluoromethyl)phenyl]cyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide
SMILESO=C(Cc1cn2c(C(=O)NCC3(c4ccc(C(F)(F)F)cc4)CCCCC3)cccc2n1)NC1CCCC1
InChIInChI=1S/C29H33F3N4O2/c30-29(31,32)21-13-11-20(12-14-21)28(15-4-1-5-16-28)19-33-27(38)24-9-6-10-25-34-23(18-36(24)25)17-26(37)35-22-7-2-3-8-22/h6,9-14,18,22H,1-5,7-8,15-17,19H2,(H,33,38)(H,35,37)
InChIKeyPKDKEIMAQIYVDZ-UHFFFAOYSA-N
XLogP5.59
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.60
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopentylamino)-2-oxoethyl]-N-[[1-[4-(trifluoromethyl)phenyl]cyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide?
The IUPAC name of 2-[2-(cyclopentylamino)-2-oxoethyl]-N-[[1-[4-(trifluoromethyl)phenyl]cyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide (CID 70862709) is 2-[2-(cyclopentylamino)-2-oxoethyl]-N-[[1-[4-(trifluoromethyl)phenyl]cyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide.
What is the SMILES notation for 2-[2-(cyclopentylamino)-2-oxoethyl]-N-[[1-[4-(trifluoromethyl)phenyl]cyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide?
The canonical SMILES for 2-[2-(cyclopentylamino)-2-oxoethyl]-N-[[1-[4-(trifluoromethyl)phenyl]cyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide is O=C(Cc1cn2c(C(=O)NCC3(c4ccc(C(F)(F)F)cc4)CCCCC3)cccc2n1)NC1CCCC1.
What is the InChIKey of 2-[2-(cyclopentylamino)-2-oxoethyl]-N-[[1-[4-(trifluoromethyl)phenyl]cyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide?
The InChIKey is PKDKEIMAQIYVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33F3N4O2/c30-29(31,32)21-13-11-20(12-14-21)28(15-4-1-5-16-28)19-33-27(38)24-9-6-10-25-34-23(18-36(24)25)17-26(37)35-22-7-2-3-8-22/h6,9-14,18,22H,1-5,7-8,15-17,19H2,(H,33,38)(H,35,37).
What are the key properties of 2-[2-(cyclopentylamino)-2-oxoethyl]-N-[[1-[4-(trifluoromethyl)phenyl]cyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide?
2-[2-(cyclopentylamino)-2-oxoethyl]-N-[[1-[4-(trifluoromethyl)phenyl]cyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide has a molecular weight of 526.60 g/mol, XLogP of 5.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopentylamino)-2-oxoethyl]-N-[[1-[4-(trifluoromethyl)phenyl]cyclohexyl]methyl]imidazo[1,2-a]pyridine-5-carboxamide is sourced from PubChem (CID 70862709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).