2-N-[3-fluoro-5-(1,2,4-triazol-1-yl)phenyl]-4-N-imidazo[1,2-a]pyridin-7-ylpyrimidine-2,4,6-triamine

C19H15FN10 — CID 145179609

IUPAC2-N-[3-fluoro-5-(1,2,4-triazol-1-yl)phenyl]-4-N-imidazo[1,2-a]pyridin-7-ylpyrimidine-2,4,6-triamine
SMILESNc1cc(Nc2ccn3ccnc3c2)nc(Nc2cc(F)cc(-n3cncn3)c2)n1
InChIInChI=1S/C19H15FN10/c20-12-5-14(7-15(6-12)30-11-22-10-24-30)26-19-27-16(21)9-17(28-19)25-13-1-3-29-4-2-23-18(29)8-13/h1-11H,(H4,21,25,26,27,28)
InChIKeyNJAKWASWLRDCAH-UHFFFAOYSA-N
MW402.40 g/mol
LogP2.91
Rot. Bonds5

About 2-N-[3-fluoro-5-(1,2,4-triazol-1-yl)phenyl]-4-N-imidazo[1,2-a]pyridin-7-ylpyrimidine-2,4,6-triamine

2-N-[3-fluoro-5-(1,2,4-triazol-1-yl)phenyl]-4-N-imidazo[1,2-a]pyridin-7-ylpyrimidine-2,4,6-triamine (PubChem CID 145179609) has the molecular formula C19H15FN10 and a molecular weight of 402.40 g/mol. Its IUPAC name is 2-N-[3-fluoro-5-(1,2,4-triazol-1-yl)phenyl]-4-N-imidazo[1,2-a]pyridin-7-ylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-[3-fluoro-5-(1,2,4-triazol-1-yl)phenyl]-4-N-imidazo[1,2-a]pyridin-7-ylpyrimidine-2,4,6-triamine
PubChem CID145179609
Molecular FormulaC19H15FN10
Molecular Weight402.40 g/mol
Exact Mass402.15
IUPAC Name2-N-[3-fluoro-5-(1,2,4-triazol-1-yl)phenyl]-4-N-imidazo[1,2-a]pyridin-7-ylpyrimidine-2,4,6-triamine
SMILESNc1cc(Nc2ccn3ccnc3c2)nc(Nc2cc(F)cc(-n3cncn3)c2)n1
InChIInChI=1S/C19H15FN10/c20-12-5-14(7-15(6-12)30-11-22-10-24-30)26-19-27-16(21)9-17(28-19)25-13-1-3-29-4-2-23-18(29)8-13/h1-11H,(H4,21,25,26,27,28)
InChIKeyNJAKWASWLRDCAH-UHFFFAOYSA-N
XLogP2.91
TPSA123.87 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-N-[3-fluoro-5-(1,2,4-triazol-1-yl)phenyl]-4-N-imidazo[1,2-a]pyridin-7-ylpyrimidine-2,4,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-fluoro-5-(1,2,4-triazol-1-yl)phenyl]-4-N-imidazo[1,2-a]pyridin-7-ylpyrimidine-2,4,6-triamine?
The IUPAC name of 2-N-[3-fluoro-5-(1,2,4-triazol-1-yl)phenyl]-4-N-imidazo[1,2-a]pyridin-7-ylpyrimidine-2,4,6-triamine (CID 145179609) is 2-N-[3-fluoro-5-(1,2,4-triazol-1-yl)phenyl]-4-N-imidazo[1,2-a]pyridin-7-ylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 2-N-[3-fluoro-5-(1,2,4-triazol-1-yl)phenyl]-4-N-imidazo[1,2-a]pyridin-7-ylpyrimidine-2,4,6-triamine?
The canonical SMILES for 2-N-[3-fluoro-5-(1,2,4-triazol-1-yl)phenyl]-4-N-imidazo[1,2-a]pyridin-7-ylpyrimidine-2,4,6-triamine is Nc1cc(Nc2ccn3ccnc3c2)nc(Nc2cc(F)cc(-n3cncn3)c2)n1.
What is the InChIKey of 2-N-[3-fluoro-5-(1,2,4-triazol-1-yl)phenyl]-4-N-imidazo[1,2-a]pyridin-7-ylpyrimidine-2,4,6-triamine?
The InChIKey is NJAKWASWLRDCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN10/c20-12-5-14(7-15(6-12)30-11-22-10-24-30)26-19-27-16(21)9-17(28-19)25-13-1-3-29-4-2-23-18(29)8-13/h1-11H,(H4,21,25,26,27,28).
What are the key properties of 2-N-[3-fluoro-5-(1,2,4-triazol-1-yl)phenyl]-4-N-imidazo[1,2-a]pyridin-7-ylpyrimidine-2,4,6-triamine?
2-N-[3-fluoro-5-(1,2,4-triazol-1-yl)phenyl]-4-N-imidazo[1,2-a]pyridin-7-ylpyrimidine-2,4,6-triamine has a molecular weight of 402.40 g/mol, XLogP of 2.91, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-fluoro-5-(1,2,4-triazol-1-yl)phenyl]-4-N-imidazo[1,2-a]pyridin-7-ylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 145179609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).