1-[6-[[3-(5-methylfuran-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-3-pyridinyl]-2-morpholin-4-ylethanone

C26H24N6O4 — CID 162692177

IUPAC1-[6-[[3-(5-methylfuran-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-3-pyridinyl]-2-morpholin-4-ylethanone
SMILESCc1cc(-c2nnc3c4ccccc4c(OCc4ccc(C(=O)CN5CCOCC5)cn4)nn23)co1
InChIInChI=1S/C26H24N6O4/c1-17-12-19(15-35-17)24-28-29-25-21-4-2-3-5-22(21)26(30-32(24)25)36-16-20-7-6-18(13-27-20)23(33)14-31-8-10-34-11-9-31/h2-7,12-13,15H,8-11,14,16H2,1H3
InChIKeyPHZIBVDPVBTXFF-UHFFFAOYSA-N
MW484.52 g/mol
LogP3.33
Rot. Bonds7

About 1-[6-[[3-(5-methylfuran-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-3-pyridinyl]-2-morpholin-4-ylethanone

1-[6-[[3-(5-methylfuran-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-3-pyridinyl]-2-morpholin-4-ylethanone (PubChem CID 162692177) has the molecular formula C26H24N6O4 and a molecular weight of 484.52 g/mol. Its IUPAC name is 1-[6-[[3-(5-methylfuran-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-3-pyridinyl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[6-[[3-(5-methylfuran-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-3-pyridinyl]-2-morpholin-4-ylethanone
PubChem CID162692177
Molecular FormulaC26H24N6O4
Molecular Weight484.52 g/mol
Exact Mass484.19
IUPAC Name1-[6-[[3-(5-methylfuran-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-3-pyridinyl]-2-morpholin-4-ylethanone
SMILESCc1cc(-c2nnc3c4ccccc4c(OCc4ccc(C(=O)CN5CCOCC5)cn4)nn23)co1
InChIInChI=1S/C26H24N6O4/c1-17-12-19(15-35-17)24-28-29-25-21-4-2-3-5-22(21)26(30-32(24)25)36-16-20-7-6-18(13-27-20)23(33)14-31-8-10-34-11-9-31/h2-7,12-13,15H,8-11,14,16H2,1H3
InChIKeyPHZIBVDPVBTXFF-UHFFFAOYSA-N
XLogP3.33
TPSA107.88 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.52
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-[6-[[3-(5-methylfuran-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-3-pyridinyl]-2-morpholin-4-ylethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[[3-(5-methylfuran-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-3-pyridinyl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[6-[[3-(5-methylfuran-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-3-pyridinyl]-2-morpholin-4-ylethanone (CID 162692177) is 1-[6-[[3-(5-methylfuran-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-3-pyridinyl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[6-[[3-(5-methylfuran-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-3-pyridinyl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[6-[[3-(5-methylfuran-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-3-pyridinyl]-2-morpholin-4-ylethanone is Cc1cc(-c2nnc3c4ccccc4c(OCc4ccc(C(=O)CN5CCOCC5)cn4)nn23)co1.
What is the InChIKey of 1-[6-[[3-(5-methylfuran-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-3-pyridinyl]-2-morpholin-4-ylethanone?
The InChIKey is PHZIBVDPVBTXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O4/c1-17-12-19(15-35-17)24-28-29-25-21-4-2-3-5-22(21)26(30-32(24)25)36-16-20-7-6-18(13-27-20)23(33)14-31-8-10-34-11-9-31/h2-7,12-13,15H,8-11,14,16H2,1H3.
What are the key properties of 1-[6-[[3-(5-methylfuran-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-3-pyridinyl]-2-morpholin-4-ylethanone?
1-[6-[[3-(5-methylfuran-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-3-pyridinyl]-2-morpholin-4-ylethanone has a molecular weight of 484.52 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[3-(5-methylfuran-3-yl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-3-pyridinyl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 162692177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).