2-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C22H16FN9O — CID 146490628

IUPAC2-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1cnc2ccc(-c3c(-c4ncco4)nc(N)n4nc(Cc5ncccc5F)nc34)cn12
InChIInChI=1S/C22H16FN9O/c1-12-10-27-17-5-4-13(11-31(12)17)18-19(21-26-7-8-33-21)29-22(24)32-20(18)28-16(30-32)9-15-14(23)3-2-6-25-15/h2-8,10-11H,9H2,1H3,(H2,24,29)
InChIKeyJQAJTSUCPJHEDV-UHFFFAOYSA-N
MW441.43 g/mol
LogP3.11
Rot. Bonds4

About 2-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

2-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 146490628) has the molecular formula C22H16FN9O and a molecular weight of 441.43 g/mol. Its IUPAC name is 2-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name2-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID146490628
Molecular FormulaC22H16FN9O
Molecular Weight441.43 g/mol
Exact Mass441.15
IUPAC Name2-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1cnc2ccc(-c3c(-c4ncco4)nc(N)n4nc(Cc5ncccc5F)nc34)cn12
InChIInChI=1S/C22H16FN9O/c1-12-10-27-17-5-4-13(11-31(12)17)18-19(21-26-7-8-33-21)29-22(24)32-20(18)28-16(30-32)9-15-14(23)3-2-6-25-15/h2-8,10-11H,9H2,1H3,(H2,24,29)
InChIKeyJQAJTSUCPJHEDV-UHFFFAOYSA-N
XLogP3.11
TPSA125.32 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,3-oxazol-2-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-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 2-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 146490628) is 2-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 2-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 2-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Cc1cnc2ccc(-c3c(-c4ncco4)nc(N)n4nc(Cc5ncccc5F)nc34)cn12.
What is the InChIKey of 2-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is JQAJTSUCPJHEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN9O/c1-12-10-27-17-5-4-13(11-31(12)17)18-19(21-26-7-8-33-21)29-22(24)32-20(18)28-16(30-32)9-15-14(23)3-2-6-25-15/h2-8,10-11H,9H2,1H3,(H2,24,29).
What are the key properties of 2-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
2-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 441.43 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-2-pyridinyl)methyl]-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-7-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 146490628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).