3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-[[2-(1,3-dimethylpyrazol-4-yl)-5-fluorophenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one

C26H23FN8O — CID 167252838

IUPAC3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-[[2-(1,3-dimethylpyrazol-4-yl)-5-fluorophenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCc1nn(C)cc1-c1ccc(F)cc1CN1CCc2ncc(-c3ccn4nc(N)nc4c3)cc2C1=O
InChIInChI=1S/C26H23FN8O/c1-15-22(14-33(2)31-15)20-4-3-19(27)9-18(20)13-34-7-6-23-21(25(34)36)10-17(12-29-23)16-5-8-35-24(11-16)30-26(28)32-35/h3-5,8-12,14H,6-7,13H2,1-2H3,(H2,28,32)
InChIKeyPOEQSWPKSSEXMO-UHFFFAOYSA-N
MW482.52 g/mol
LogP3.42
Rot. Bonds4

About 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-[[2-(1,3-dimethylpyrazol-4-yl)-5-fluorophenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one

3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-[[2-(1,3-dimethylpyrazol-4-yl)-5-fluorophenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one (PubChem CID 167252838) has the molecular formula C26H23FN8O and a molecular weight of 482.52 g/mol. Its IUPAC name is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-[[2-(1,3-dimethylpyrazol-4-yl)-5-fluorophenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-[[2-(1,3-dimethylpyrazol-4-yl)-5-fluorophenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one
PubChem CID167252838
Molecular FormulaC26H23FN8O
Molecular Weight482.52 g/mol
Exact Mass482.20
IUPAC Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-[[2-(1,3-dimethylpyrazol-4-yl)-5-fluorophenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCc1nn(C)cc1-c1ccc(F)cc1CN1CCc2ncc(-c3ccn4nc(N)nc4c3)cc2C1=O
InChIInChI=1S/C26H23FN8O/c1-15-22(14-33(2)31-15)20-4-3-19(27)9-18(20)13-34-7-6-23-21(25(34)36)10-17(12-29-23)16-5-8-35-24(11-16)30-26(28)32-35/h3-5,8-12,14H,6-7,13H2,1-2H3,(H2,28,32)
InChIKeyPOEQSWPKSSEXMO-UHFFFAOYSA-N
XLogP3.42
TPSA107.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-[[2-(1,3-dimethylpyrazol-4-yl)-5-fluorophenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-[[2-(1,3-dimethylpyrazol-4-yl)-5-fluorophenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The IUPAC name of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-[[2-(1,3-dimethylpyrazol-4-yl)-5-fluorophenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one (CID 167252838) is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-[[2-(1,3-dimethylpyrazol-4-yl)-5-fluorophenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one.
What is the SMILES notation for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-[[2-(1,3-dimethylpyrazol-4-yl)-5-fluorophenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The canonical SMILES for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-[[2-(1,3-dimethylpyrazol-4-yl)-5-fluorophenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one is Cc1nn(C)cc1-c1ccc(F)cc1CN1CCc2ncc(-c3ccn4nc(N)nc4c3)cc2C1=O.
What is the InChIKey of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-[[2-(1,3-dimethylpyrazol-4-yl)-5-fluorophenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The InChIKey is POEQSWPKSSEXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN8O/c1-15-22(14-33(2)31-15)20-4-3-19(27)9-18(20)13-34-7-6-23-21(25(34)36)10-17(12-29-23)16-5-8-35-24(11-16)30-26(28)32-35/h3-5,8-12,14H,6-7,13H2,1-2H3,(H2,28,32).
What are the key properties of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-[[2-(1,3-dimethylpyrazol-4-yl)-5-fluorophenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one?
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-[[2-(1,3-dimethylpyrazol-4-yl)-5-fluorophenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one has a molecular weight of 482.52 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-[[2-(1,3-dimethylpyrazol-4-yl)-5-fluorophenyl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one is sourced from PubChem (CID 167252838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).