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

C24H23N7O4 — CID 139494025

IUPAC6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-propan-2-ylpyridine-3-carboxamide
SMILESCOCc1cc(-c2nnc3c4ccccc4c(OCc4ccc(C(=O)NC(C)C)cn4)nn23)no1
InChIInChI=1S/C24H23N7O4/c1-14(2)26-23(32)15-8-9-16(25-11-15)12-34-24-19-7-5-4-6-18(19)21-27-28-22(31(21)29-24)20-10-17(13-33-3)35-30-20/h4-11,14H,12-13H2,1-3H3,(H,26,32)
InChIKeySJKIRCQVZPKJKZ-UHFFFAOYSA-N
MW473.49 g/mol
LogP3.19
Rot. Bonds8

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

6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 139494025) has the molecular formula C24H23N7O4 and a molecular weight of 473.49 g/mol. Its IUPAC name is 6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-propan-2-ylpyridine-3-carboxamide
PubChem CID139494025
Molecular FormulaC24H23N7O4
Molecular Weight473.49 g/mol
Exact Mass473.18
IUPAC Name6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-propan-2-ylpyridine-3-carboxamide
SMILESCOCc1cc(-c2nnc3c4ccccc4c(OCc4ccc(C(=O)NC(C)C)cn4)nn23)no1
InChIInChI=1S/C24H23N7O4/c1-14(2)26-23(32)15-8-9-16(25-11-15)12-34-24-19-7-5-4-6-18(19)21-27-28-22(31(21)29-24)20-10-17(13-33-3)35-30-20/h4-11,14H,12-13H2,1-3H3,(H,26,32)
InChIKeySJKIRCQVZPKJKZ-UHFFFAOYSA-N
XLogP3.19
TPSA129.56 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.49
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-propan-2-ylpyridine-3-carboxamide (CID 139494025) is 6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-propan-2-ylpyridine-3-carboxamide is COCc1cc(-c2nnc3c4ccccc4c(OCc4ccc(C(=O)NC(C)C)cn4)nn23)no1.
What is the InChIKey of 6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is SJKIRCQVZPKJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O4/c1-14(2)26-23(32)15-8-9-16(25-11-15)12-34-24-19-7-5-4-6-18(19)21-27-28-22(31(21)29-24)20-10-17(13-33-3)35-30-20/h4-11,14H,12-13H2,1-3H3,(H,26,32).
What are the key properties of 6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-propan-2-ylpyridine-3-carboxamide?
6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 473.49 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 139494025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).