6-[[3-[5-(oxan-2-yloxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-piperidin-1-ylpyridine-3-carboxamide

C30H32N8O5 — CID 129234789

IUPAC6-[[3-[5-(oxan-2-yloxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-piperidin-1-ylpyridine-3-carboxamide
SMILESO=C(NN1CCCCC1)c1ccc(COc2nn3c(-c4cc(COC5CCCCO5)on4)nnc3c3ccccc23)nc1
InChIInChI=1S/C30H32N8O5/c39-29(34-37-13-5-1-6-14-37)20-11-12-21(31-17-20)18-42-30-24-9-3-2-8-23(24)27-32-33-28(38(27)35-30)25-16-22(43-36-25)19-41-26-10-4-7-15-40-26/h2-3,8-9,11-12,16-17,26H,1,4-7,10,13-15,18-19H2,(H,34,39)
InChIKeyYUBLNSBKCXDBGJ-UHFFFAOYSA-N
MW584.64 g/mol
LogP4.08
Rot. Bonds9

About 6-[[3-[5-(oxan-2-yloxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-piperidin-1-ylpyridine-3-carboxamide

6-[[3-[5-(oxan-2-yloxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-piperidin-1-ylpyridine-3-carboxamide (PubChem CID 129234789) has the molecular formula C30H32N8O5 and a molecular weight of 584.64 g/mol. Its IUPAC name is 6-[[3-[5-(oxan-2-yloxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-piperidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[3-[5-(oxan-2-yloxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-piperidin-1-ylpyridine-3-carboxamide
PubChem CID129234789
Molecular FormulaC30H32N8O5
Molecular Weight584.64 g/mol
Exact Mass584.25
IUPAC Name6-[[3-[5-(oxan-2-yloxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-piperidin-1-ylpyridine-3-carboxamide
SMILESO=C(NN1CCCCC1)c1ccc(COc2nn3c(-c4cc(COC5CCCCO5)on4)nnc3c3ccccc23)nc1
InChIInChI=1S/C30H32N8O5/c39-29(34-37-13-5-1-6-14-37)20-11-12-21(31-17-20)18-42-30-24-9-3-2-8-23(24)27-32-33-28(38(27)35-30)25-16-22(43-36-25)19-41-26-10-4-7-15-40-26/h2-3,8-9,11-12,16-17,26H,1,4-7,10,13-15,18-19H2,(H,34,39)
InChIKeyYUBLNSBKCXDBGJ-UHFFFAOYSA-N
XLogP4.08
TPSA142.03 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.64
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 6-[[3-[5-(oxan-2-yloxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-piperidin-1-ylpyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-[5-(oxan-2-yloxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-piperidin-1-ylpyridine-3-carboxamide?
The IUPAC name of 6-[[3-[5-(oxan-2-yloxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-piperidin-1-ylpyridine-3-carboxamide (CID 129234789) is 6-[[3-[5-(oxan-2-yloxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-piperidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[3-[5-(oxan-2-yloxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-piperidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for 6-[[3-[5-(oxan-2-yloxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-piperidin-1-ylpyridine-3-carboxamide is O=C(NN1CCCCC1)c1ccc(COc2nn3c(-c4cc(COC5CCCCO5)on4)nnc3c3ccccc23)nc1.
What is the InChIKey of 6-[[3-[5-(oxan-2-yloxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-piperidin-1-ylpyridine-3-carboxamide?
The InChIKey is YUBLNSBKCXDBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N8O5/c39-29(34-37-13-5-1-6-14-37)20-11-12-21(31-17-20)18-42-30-24-9-3-2-8-23(24)27-32-33-28(38(27)35-30)25-16-22(43-36-25)19-41-26-10-4-7-15-40-26/h2-3,8-9,11-12,16-17,26H,1,4-7,10,13-15,18-19H2,(H,34,39).
What are the key properties of 6-[[3-[5-(oxan-2-yloxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-piperidin-1-ylpyridine-3-carboxamide?
6-[[3-[5-(oxan-2-yloxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-piperidin-1-ylpyridine-3-carboxamide has a molecular weight of 584.64 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-[5-(oxan-2-yloxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-piperidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 129234789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).