3-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]methyl]-N-hydroxycyclobutane-1-carboxamide

C23H29N5O4 — CID 136645449

IUPAC3-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]methyl]-N-hydroxycyclobutane-1-carboxamide
SMILESCCCc1nc(C)c2c(=O)[nH]c(-c3cc(CC4CC(C(=O)NO)C4)ccc3OCC)nn12
InChIInChI=1S/C23H29N5O4/c1-4-6-19-24-13(3)20-23(30)25-21(26-28(19)20)17-12-14(7-8-18(17)32-5-2)9-15-10-16(11-15)22(29)27-31/h7-8,12,15-16,31H,4-6,9-11H2,1-3H3,(H,27,29)(H,25,26,30)
InChIKeyGTHGSJGOJCVXEE-UHFFFAOYSA-N
MW439.52 g/mol
LogP2.82
Rot. Bonds8

About 3-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]methyl]-N-hydroxycyclobutane-1-carboxamide

3-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]methyl]-N-hydroxycyclobutane-1-carboxamide (PubChem CID 136645449) has the molecular formula C23H29N5O4 and a molecular weight of 439.52 g/mol. Its IUPAC name is 3-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]methyl]-N-hydroxycyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]methyl]-N-hydroxycyclobutane-1-carboxamide
PubChem CID136645449
Molecular FormulaC23H29N5O4
Molecular Weight439.52 g/mol
Exact Mass439.22
IUPAC Name3-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]methyl]-N-hydroxycyclobutane-1-carboxamide
SMILESCCCc1nc(C)c2c(=O)[nH]c(-c3cc(CC4CC(C(=O)NO)C4)ccc3OCC)nn12
InChIInChI=1S/C23H29N5O4/c1-4-6-19-24-13(3)20-23(30)25-21(26-28(19)20)17-12-14(7-8-18(17)32-5-2)9-15-10-16(11-15)22(29)27-31/h7-8,12,15-16,31H,4-6,9-11H2,1-3H3,(H,27,29)(H,25,26,30)
InChIKeyGTHGSJGOJCVXEE-UHFFFAOYSA-N
XLogP2.82
TPSA121.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]methyl]-N-hydroxycyclobutane-1-carboxamide?
The IUPAC name of 3-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]methyl]-N-hydroxycyclobutane-1-carboxamide (CID 136645449) is 3-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]methyl]-N-hydroxycyclobutane-1-carboxamide.
What is the SMILES notation for 3-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]methyl]-N-hydroxycyclobutane-1-carboxamide?
The canonical SMILES for 3-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]methyl]-N-hydroxycyclobutane-1-carboxamide is CCCc1nc(C)c2c(=O)[nH]c(-c3cc(CC4CC(C(=O)NO)C4)ccc3OCC)nn12.
What is the InChIKey of 3-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]methyl]-N-hydroxycyclobutane-1-carboxamide?
The InChIKey is GTHGSJGOJCVXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O4/c1-4-6-19-24-13(3)20-23(30)25-21(26-28(19)20)17-12-14(7-8-18(17)32-5-2)9-15-10-16(11-15)22(29)27-31/h7-8,12,15-16,31H,4-6,9-11H2,1-3H3,(H,27,29)(H,25,26,30).
What are the key properties of 3-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]methyl]-N-hydroxycyclobutane-1-carboxamide?
3-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]methyl]-N-hydroxycyclobutane-1-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 2.82, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]methyl]-N-hydroxycyclobutane-1-carboxamide is sourced from PubChem (CID 136645449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).