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

C17H14F3N5O — CID 68528343

IUPACN-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]but-2-enamide
SMILESCC=CC(=O)Nc1cn2cc(-c3cnc(N)c(C(F)(F)F)c3)ccc2n1
InChIInChI=1S/C17H14F3N5O/c1-2-3-15(26)24-13-9-25-8-10(4-5-14(25)23-13)11-6-12(17(18,19)20)16(21)22-7-11/h2-9H,1H3,(H2,21,22)(H,24,26)
InChIKeySXSHMRKBUHYLAA-UHFFFAOYSA-N
MW361.33 g/mol
LogP3.51
Rot. Bonds3

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

N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]but-2-enamide (PubChem CID 68528343) has the molecular formula C17H14F3N5O and a molecular weight of 361.33 g/mol. Its IUPAC name is N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]but-2-enamide.

Molecular Properties

Compound NameN-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]but-2-enamide
PubChem CID68528343
Molecular FormulaC17H14F3N5O
Molecular Weight361.33 g/mol
Exact Mass361.12
IUPAC NameN-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]but-2-enamide
SMILESCC=CC(=O)Nc1cn2cc(-c3cnc(N)c(C(F)(F)F)c3)ccc2n1
InChIInChI=1S/C17H14F3N5O/c1-2-3-15(26)24-13-9-25-8-10(4-5-14(25)23-13)11-6-12(17(18,19)20)16(21)22-7-11/h2-9H,1H3,(H2,21,22)(H,24,26)
InChIKeySXSHMRKBUHYLAA-UHFFFAOYSA-N
XLogP3.51
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.33
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', '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]but-2-enamide?
The IUPAC name of N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]but-2-enamide (CID 68528343) is N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]but-2-enamide.
What is the SMILES notation for N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]but-2-enamide?
The canonical SMILES for N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]but-2-enamide is CC=CC(=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]but-2-enamide?
The InChIKey is SXSHMRKBUHYLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O/c1-2-3-15(26)24-13-9-25-8-10(4-5-14(25)23-13)11-6-12(17(18,19)20)16(21)22-7-11/h2-9H,1H3,(H2,21,22)(H,24,26).
What are the key properties of N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]but-2-enamide?
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-a]pyridin-2-yl]but-2-enamide has a molecular weight of 361.33 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 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]but-2-enamide is sourced from PubChem (CID 68528343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).