N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(1-ethylpiperidin-4-yl)oxyacetamide

C22H25F3N6O2 — CID 59251981

IUPACN-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(1-ethylpiperidin-4-yl)oxyacetamide
SMILESCCN1CCC(OCC(=O)Nc2cn3cc(-c4cnc(N)c(C(F)(F)F)c4)ccc3n2)CC1
InChIInChI=1S/C22H25F3N6O2/c1-2-30-7-5-16(6-8-30)33-13-20(32)29-18-12-31-11-14(3-4-19(31)28-18)15-9-17(22(23,24)25)21(26)27-10-15/h3-4,9-12,16H,2,5-8,13H2,1H3,(H2,26,27)(H,29,32)
InChIKeyFDZSRNBDVSQCLT-UHFFFAOYSA-N
MW462.48 g/mol
LogP3.44
Rot. Bonds6

About N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(1-ethylpiperidin-4-yl)oxyacetamide

N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(1-ethylpiperidin-4-yl)oxyacetamide (PubChem CID 59251981) has the molecular formula C22H25F3N6O2 and a molecular weight of 462.48 g/mol. Its IUPAC name is N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(1-ethylpiperidin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(1-ethylpiperidin-4-yl)oxyacetamide
PubChem CID59251981
Molecular FormulaC22H25F3N6O2
Molecular Weight462.48 g/mol
Exact Mass462.20
IUPAC NameN-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(1-ethylpiperidin-4-yl)oxyacetamide
SMILESCCN1CCC(OCC(=O)Nc2cn3cc(-c4cnc(N)c(C(F)(F)F)c4)ccc3n2)CC1
InChIInChI=1S/C22H25F3N6O2/c1-2-30-7-5-16(6-8-30)33-13-20(32)29-18-12-31-11-14(3-4-19(31)28-18)15-9-17(22(23,24)25)21(26)27-10-15/h3-4,9-12,16H,2,5-8,13H2,1H3,(H2,26,27)(H,29,32)
InChIKeyFDZSRNBDVSQCLT-UHFFFAOYSA-N
XLogP3.44
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.48
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(1-ethylpiperidin-4-yl)oxyacetamide?
The IUPAC name of N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(1-ethylpiperidin-4-yl)oxyacetamide (CID 59251981) is N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(1-ethylpiperidin-4-yl)oxyacetamide.
What is the SMILES notation for N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(1-ethylpiperidin-4-yl)oxyacetamide?
The canonical SMILES for N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(1-ethylpiperidin-4-yl)oxyacetamide is CCN1CCC(OCC(=O)Nc2cn3cc(-c4cnc(N)c(C(F)(F)F)c4)ccc3n2)CC1.
What is the InChIKey of N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(1-ethylpiperidin-4-yl)oxyacetamide?
The InChIKey is FDZSRNBDVSQCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N6O2/c1-2-30-7-5-16(6-8-30)33-13-20(32)29-18-12-31-11-14(3-4-19(31)28-18)15-9-17(22(23,24)25)21(26)27-10-15/h3-4,9-12,16H,2,5-8,13H2,1H3,(H2,26,27)(H,29,32).
What are the key properties of N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(1-ethylpiperidin-4-yl)oxyacetamide?
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(1-ethylpiperidin-4-yl)oxyacetamide has a molecular weight of 462.48 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-2-(1-ethylpiperidin-4-yl)oxyacetamide is sourced from PubChem (CID 59251981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).