N-(3-fluorophenyl)-5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine

C20H19FN6O — CID 95813246

IUPACN-(3-fluorophenyl)-5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine
SMILESCc1nnc2ccc(CN3CCc4onc(Nc5cccc(F)c5)c4C3)cn12
InChIInChI=1S/C20H19FN6O/c1-13-23-24-19-6-5-14(11-27(13)19)10-26-8-7-18-17(12-26)20(25-28-18)22-16-4-2-3-15(21)9-16/h2-6,9,11H,7-8,10,12H2,1H3,(H,22,25)
InChIKeySNMJJUXXHRJKJB-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.47
Rot. Bonds4

About N-(3-fluorophenyl)-5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine

N-(3-fluorophenyl)-5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine (PubChem CID 95813246) has the molecular formula C20H19FN6O and a molecular weight of 378.41 g/mol. Its IUPAC name is N-(3-fluorophenyl)-5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine
PubChem CID95813246
Molecular FormulaC20H19FN6O
Molecular Weight378.41 g/mol
Exact Mass378.16
IUPAC NameN-(3-fluorophenyl)-5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine
SMILESCc1nnc2ccc(CN3CCc4onc(Nc5cccc(F)c5)c4C3)cn12
InChIInChI=1S/C20H19FN6O/c1-13-23-24-19-6-5-14(11-27(13)19)10-26-8-7-18-17(12-26)20(25-28-18)22-16-4-2-3-15(21)9-16/h2-6,9,11H,7-8,10,12H2,1H3,(H,22,25)
InChIKeySNMJJUXXHRJKJB-UHFFFAOYSA-N
XLogP3.47
TPSA71.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3-fluorophenyl)-5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine?
The IUPAC name of N-(3-fluorophenyl)-5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine (CID 95813246) is N-(3-fluorophenyl)-5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine.
What is the SMILES notation for N-(3-fluorophenyl)-5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine?
The canonical SMILES for N-(3-fluorophenyl)-5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine is Cc1nnc2ccc(CN3CCc4onc(Nc5cccc(F)c5)c4C3)cn12.
What is the InChIKey of N-(3-fluorophenyl)-5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine?
The InChIKey is SNMJJUXXHRJKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O/c1-13-23-24-19-6-5-14(11-27(13)19)10-26-8-7-18-17(12-26)20(25-28-18)22-16-4-2-3-15(21)9-16/h2-6,9,11H,7-8,10,12H2,1H3,(H,22,25).
What are the key properties of N-(3-fluorophenyl)-5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine?
N-(3-fluorophenyl)-5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine has a molecular weight of 378.41 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine is sourced from PubChem (CID 95813246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).