N-[6-[[amino-(2-amino-3-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide

C15H14F3N7O — CID 143942713

IUPACN-[6-[[amino-(2-amino-3-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide
SMILESNc1ncccc1N(N)Cc1ccc2nc(NC(=O)C(F)(F)F)cn2c1
InChIInChI=1S/C15H14F3N7O/c16-15(17,18)14(26)23-11-8-24-6-9(3-4-12(24)22-11)7-25(20)10-2-1-5-21-13(10)19/h1-6,8H,7,20H2,(H2,19,21)(H,23,26)
InChIKeyOGCRFZZRBNKBFQ-UHFFFAOYSA-N
MW365.32 g/mol
LogP1.69
Rot. Bonds4

About N-[6-[[amino-(2-amino-3-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide

N-[6-[[amino-(2-amino-3-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide (PubChem CID 143942713) has the molecular formula C15H14F3N7O and a molecular weight of 365.32 g/mol. Its IUPAC name is N-[6-[[amino-(2-amino-3-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[6-[[amino-(2-amino-3-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide
PubChem CID143942713
Molecular FormulaC15H14F3N7O
Molecular Weight365.32 g/mol
Exact Mass365.12
IUPAC NameN-[6-[[amino-(2-amino-3-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide
SMILESNc1ncccc1N(N)Cc1ccc2nc(NC(=O)C(F)(F)F)cn2c1
InChIInChI=1S/C15H14F3N7O/c16-15(17,18)14(26)23-11-8-24-6-9(3-4-12(24)22-11)7-25(20)10-2-1-5-21-13(10)19/h1-6,8H,7,20H2,(H2,19,21)(H,23,26)
InChIKeyOGCRFZZRBNKBFQ-UHFFFAOYSA-N
XLogP1.69
TPSA114.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-[[amino-(2-amino-3-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[6-[[amino-(2-amino-3-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide (CID 143942713) is N-[6-[[amino-(2-amino-3-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[6-[[amino-(2-amino-3-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[6-[[amino-(2-amino-3-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide is Nc1ncccc1N(N)Cc1ccc2nc(NC(=O)C(F)(F)F)cn2c1.
What is the InChIKey of N-[6-[[amino-(2-amino-3-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide?
The InChIKey is OGCRFZZRBNKBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N7O/c16-15(17,18)14(26)23-11-8-24-6-9(3-4-12(24)22-11)7-25(20)10-2-1-5-21-13(10)19/h1-6,8H,7,20H2,(H2,19,21)(H,23,26).
What are the key properties of N-[6-[[amino-(2-amino-3-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide?
N-[6-[[amino-(2-amino-3-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide has a molecular weight of 365.32 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[amino-(2-amino-3-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 143942713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).