2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine

C23H25FN6O — CID 97447831

IUPAC2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCc1noc(C)c1CN1CCC(c2nc3ccc(Nc4cccc(F)c4)cn3n2)CC1
InChIInChI=1S/C23H25FN6O/c1-15-21(16(2)31-28-15)14-29-10-8-17(9-11-29)23-26-22-7-6-20(13-30(22)27-23)25-19-5-3-4-18(24)12-19/h3-7,12-13,17,25H,8-11,14H2,1-2H3
InChIKeySIOFRQZMCXYJAT-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.60
Rot. Bonds5

About 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine

2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 97447831) has the molecular formula C23H25FN6O and a molecular weight of 420.49 g/mol. Its IUPAC name is 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound Name2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID97447831
Molecular FormulaC23H25FN6O
Molecular Weight420.49 g/mol
Exact Mass420.21
IUPAC Name2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCc1noc(C)c1CN1CCC(c2nc3ccc(Nc4cccc(F)c4)cn3n2)CC1
InChIInChI=1S/C23H25FN6O/c1-15-21(16(2)31-28-15)14-29-10-8-17(9-11-29)23-26-22-7-6-20(13-30(22)27-23)25-19-5-3-4-18(24)12-19/h3-7,12-13,17,25H,8-11,14H2,1-2H3
InChIKeySIOFRQZMCXYJAT-UHFFFAOYSA-N
XLogP4.60
TPSA71.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine with MolForge

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Related Compounds

2-(1-cyclopentylpiperidin-4-yl)-N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 97447835
6-(3-fluorophenyl)-2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 97362223
4-[[(3aR,7aR)-2-[(3-fluorophenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 124834944
6-(3-fluorophenyl)-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 97447768
1-[4-(6-anilino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 97447825
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 75527446
2-[(2R)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-5-(3-fluorophenyl)-1,3,4-oxadiazole
CID 95618273
4-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 39975553
4-[[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 86773638
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 47022600
(3aS,6aR)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-[(3-fluorophenyl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 124835135
3,5-dimethyl-4-[[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 53192308

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 97447831) is 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine is Cc1noc(C)c1CN1CCC(c2nc3ccc(Nc4cccc(F)c4)cn3n2)CC1.
What is the InChIKey of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is SIOFRQZMCXYJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O/c1-15-21(16(2)31-28-15)14-29-10-8-17(9-11-29)23-26-22-7-6-20(13-30(22)27-23)25-19-5-3-4-18(24)12-19/h3-7,12-13,17,25H,8-11,14H2,1-2H3.
What are the key properties of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 420.49 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 97447831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).