2-[(6-amino-2-pyridinyl)methyl]-7-(4-fluorophenyl)-8-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C24H18FN9 — CID 146443662

IUPAC2-[(6-amino-2-pyridinyl)methyl]-7-(4-fluorophenyl)-8-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1cccc(Cc2nc3c(-c4ccc5nccn5c4)c(-c4ccc(F)cc4)nc(N)n3n2)n1
InChIInChI=1S/C24H18FN9/c25-16-7-4-14(5-8-16)22-21(15-6-9-20-28-10-11-33(20)13-15)23-30-19(32-34(23)24(27)31-22)12-17-2-1-3-18(26)29-17/h1-11,13H,12H2,(H2,26,29)(H2,27,31)
InChIKeyOGILCXDJHLQZTN-UHFFFAOYSA-N
MW451.47 g/mol
LogP3.40
Rot. Bonds4

About 2-[(6-amino-2-pyridinyl)methyl]-7-(4-fluorophenyl)-8-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

2-[(6-amino-2-pyridinyl)methyl]-7-(4-fluorophenyl)-8-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 146443662) has the molecular formula C24H18FN9 and a molecular weight of 451.47 g/mol. Its IUPAC name is 2-[(6-amino-2-pyridinyl)methyl]-7-(4-fluorophenyl)-8-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name2-[(6-amino-2-pyridinyl)methyl]-7-(4-fluorophenyl)-8-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID146443662
Molecular FormulaC24H18FN9
Molecular Weight451.47 g/mol
Exact Mass451.17
IUPAC Name2-[(6-amino-2-pyridinyl)methyl]-7-(4-fluorophenyl)-8-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1cccc(Cc2nc3c(-c4ccc5nccn5c4)c(-c4ccc(F)cc4)nc(N)n3n2)n1
InChIInChI=1S/C24H18FN9/c25-16-7-4-14(5-8-16)22-21(15-6-9-20-28-10-11-33(20)13-15)23-30-19(32-34(23)24(27)31-22)12-17-2-1-3-18(26)29-17/h1-11,13H,12H2,(H2,26,29)(H2,27,31)
InChIKeyOGILCXDJHLQZTN-UHFFFAOYSA-N
XLogP3.40
TPSA125.31 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.47
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[(6-amino-2-pyridinyl)methyl]-7-(4-fluorophenyl)-8-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-pyridinyl)methyl]-7-(4-fluorophenyl)-8-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 2-[(6-amino-2-pyridinyl)methyl]-7-(4-fluorophenyl)-8-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 146443662) is 2-[(6-amino-2-pyridinyl)methyl]-7-(4-fluorophenyl)-8-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 2-[(6-amino-2-pyridinyl)methyl]-7-(4-fluorophenyl)-8-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 2-[(6-amino-2-pyridinyl)methyl]-7-(4-fluorophenyl)-8-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Nc1cccc(Cc2nc3c(-c4ccc5nccn5c4)c(-c4ccc(F)cc4)nc(N)n3n2)n1.
What is the InChIKey of 2-[(6-amino-2-pyridinyl)methyl]-7-(4-fluorophenyl)-8-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is OGILCXDJHLQZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN9/c25-16-7-4-14(5-8-16)22-21(15-6-9-20-28-10-11-33(20)13-15)23-30-19(32-34(23)24(27)31-22)12-17-2-1-3-18(26)29-17/h1-11,13H,12H2,(H2,26,29)(H2,27,31).
What are the key properties of 2-[(6-amino-2-pyridinyl)methyl]-7-(4-fluorophenyl)-8-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
2-[(6-amino-2-pyridinyl)methyl]-7-(4-fluorophenyl)-8-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 451.47 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-pyridinyl)methyl]-7-(4-fluorophenyl)-8-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 146443662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).