4-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-8-ylpiperazine-1-carboxamide

C20H19ClF3N5O2 — CID 46233972

IUPAC4-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-8-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccn2ccnc12)N1CCN(Cc2ccc(OC(F)(F)F)c(Cl)c2)CC1
InChIInChI=1S/C20H19ClF3N5O2/c21-15-12-14(3-4-17(15)31-20(22,23)24)13-27-8-10-29(11-9-27)19(30)26-16-2-1-6-28-7-5-25-18(16)28/h1-7,12H,8-11,13H2,(H,26,30)
InChIKeyGXRRHWLQXUJRQZ-UHFFFAOYSA-N
MW453.85 g/mol
LogP4.24
Rot. Bonds4

About 4-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-8-ylpiperazine-1-carboxamide

4-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-8-ylpiperazine-1-carboxamide (PubChem CID 46233972) has the molecular formula C20H19ClF3N5O2 and a molecular weight of 453.85 g/mol. Its IUPAC name is 4-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-8-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-8-ylpiperazine-1-carboxamide
PubChem CID46233972
Molecular FormulaC20H19ClF3N5O2
Molecular Weight453.85 g/mol
Exact Mass453.12
IUPAC Name4-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-8-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccn2ccnc12)N1CCN(Cc2ccc(OC(F)(F)F)c(Cl)c2)CC1
InChIInChI=1S/C20H19ClF3N5O2/c21-15-12-14(3-4-17(15)31-20(22,23)24)13-27-8-10-29(11-9-27)19(30)26-16-2-1-6-28-7-5-25-18(16)28/h1-7,12H,8-11,13H2,(H,26,30)
InChIKeyGXRRHWLQXUJRQZ-UHFFFAOYSA-N
XLogP4.24
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.85
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-8-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-8-ylpiperazine-1-carboxamide (CID 46233972) is 4-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-8-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-8-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-8-ylpiperazine-1-carboxamide is O=C(Nc1cccn2ccnc12)N1CCN(Cc2ccc(OC(F)(F)F)c(Cl)c2)CC1.
What is the InChIKey of 4-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-8-ylpiperazine-1-carboxamide?
The InChIKey is GXRRHWLQXUJRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF3N5O2/c21-15-12-14(3-4-17(15)31-20(22,23)24)13-27-8-10-29(11-9-27)19(30)26-16-2-1-6-28-7-5-25-18(16)28/h1-7,12H,8-11,13H2,(H,26,30).
What are the key properties of 4-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-8-ylpiperazine-1-carboxamide?
4-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-8-ylpiperazine-1-carboxamide has a molecular weight of 453.85 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-N-imidazo[1,2-a]pyridin-8-ylpiperazine-1-carboxamide is sourced from PubChem (CID 46233972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).