N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-6-(methylamino)hexanamide

C20H23F3N6O — CID 71171122

IUPACN-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-6-(methylamino)hexanamide
SMILESCNCCCCCC(=O)Nc1cn2cc(-c3cnc(N)c(C(F)(F)F)c3)ccc2n1
InChIInChI=1S/C20H23F3N6O/c1-25-8-4-2-3-5-18(30)28-16-12-29-11-13(6-7-17(29)27-16)14-9-15(20(21,22)23)19(24)26-10-14/h6-7,9-12,25H,2-5,8H2,1H3,(H2,24,26)(H,28,30)
InChIKeyGJEMGCCVGOPGAE-UHFFFAOYSA-N
MW420.44 g/mol
LogP3.72
Rot. Bonds8

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

N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-6-(methylamino)hexanamide (PubChem CID 71171122) has the molecular formula C20H23F3N6O and a molecular weight of 420.44 g/mol. Its IUPAC name is N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-6-(methylamino)hexanamide.

Molecular Properties

Compound NameN-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-6-(methylamino)hexanamide
PubChem CID71171122
Molecular FormulaC20H23F3N6O
Molecular Weight420.44 g/mol
Exact Mass420.19
IUPAC NameN-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-6-(methylamino)hexanamide
SMILESCNCCCCCC(=O)Nc1cn2cc(-c3cnc(N)c(C(F)(F)F)c3)ccc2n1
InChIInChI=1S/C20H23F3N6O/c1-25-8-4-2-3-5-18(30)28-16-12-29-11-13(6-7-17(29)27-16)14-9-15(20(21,22)23)19(24)26-10-14/h6-7,9-12,25H,2-5,8H2,1H3,(H2,24,26)(H,28,30)
InChIKeyGJEMGCCVGOPGAE-UHFFFAOYSA-N
XLogP3.72
TPSA97.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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]-6-(methylamino)hexanamide?
The IUPAC name of N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-6-(methylamino)hexanamide (CID 71171122) is N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-6-(methylamino)hexanamide.
What is the SMILES notation for N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-6-(methylamino)hexanamide?
The canonical SMILES for N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-6-(methylamino)hexanamide is CNCCCCCC(=O)Nc1cn2cc(-c3cnc(N)c(C(F)(F)F)c3)ccc2n1.
What is the InChIKey of N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-6-(methylamino)hexanamide?
The InChIKey is GJEMGCCVGOPGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N6O/c1-25-8-4-2-3-5-18(30)28-16-12-29-11-13(6-7-17(29)27-16)14-9-15(20(21,22)23)19(24)26-10-14/h6-7,9-12,25H,2-5,8H2,1H3,(H2,24,26)(H,28,30).
What are the key properties of N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-6-(methylamino)hexanamide?
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]-6-(methylamino)hexanamide has a molecular weight of 420.44 g/mol, XLogP of 3.72, 8 rotatable bonds, 3 hydrogen bond donors, and 6 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]-6-(methylamino)hexanamide is sourced from PubChem (CID 71171122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).