3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-N-(1-ethylpyrazol-3-yl)-5-(oxolan-3-yloxy)benzamide

C24H26N6O5 — CID 73224081

IUPAC3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-N-(1-ethylpyrazol-3-yl)-5-(oxolan-3-yloxy)benzamide
SMILESCCn1ccc(NC(=O)c2cc(Oc3cnc(C(=O)N4CCC4)cn3)cc(OC3CCOC3)c2)n1
InChIInChI=1S/C24H26N6O5/c1-2-30-8-4-21(28-30)27-23(31)16-10-18(34-17-5-9-33-15-17)12-19(11-16)35-22-14-25-20(13-26-22)24(32)29-6-3-7-29/h4,8,10-14,17H,2-3,5-7,9,15H2,1H3,(H,27,28,31)
InChIKeyWPJXIBJQPPBGAE-UHFFFAOYSA-N
MW478.51 g/mol
LogP2.75
Rot. Bonds8

About 3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-N-(1-ethylpyrazol-3-yl)-5-(oxolan-3-yloxy)benzamide

3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-N-(1-ethylpyrazol-3-yl)-5-(oxolan-3-yloxy)benzamide (PubChem CID 73224081) has the molecular formula C24H26N6O5 and a molecular weight of 478.51 g/mol. Its IUPAC name is 3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-N-(1-ethylpyrazol-3-yl)-5-(oxolan-3-yloxy)benzamide.

Molecular Properties

Compound Name3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-N-(1-ethylpyrazol-3-yl)-5-(oxolan-3-yloxy)benzamide
PubChem CID73224081
Molecular FormulaC24H26N6O5
Molecular Weight478.51 g/mol
Exact Mass478.20
IUPAC Name3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-N-(1-ethylpyrazol-3-yl)-5-(oxolan-3-yloxy)benzamide
SMILESCCn1ccc(NC(=O)c2cc(Oc3cnc(C(=O)N4CCC4)cn3)cc(OC3CCOC3)c2)n1
InChIInChI=1S/C24H26N6O5/c1-2-30-8-4-21(28-30)27-23(31)16-10-18(34-17-5-9-33-15-17)12-19(11-16)35-22-14-25-20(13-26-22)24(32)29-6-3-7-29/h4,8,10-14,17H,2-3,5-7,9,15H2,1H3,(H,27,28,31)
InChIKeyWPJXIBJQPPBGAE-UHFFFAOYSA-N
XLogP2.75
TPSA120.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.51
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-5-(oxolan-3-yloxy)benzoic acid
CID 67315157
3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-5-[(2S)-1-hydroxypropan-2-yl]oxy-N-(5-methylpyrazin-2-yl)benzamide
CID 53482140
3-hydroxy-N-(1-methylpyrazol-3-yl)-5-[(3R)-oxolan-3-yl]oxybenzamide
CID 59127124
3-[(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-8-yl)oxy]-N-(1-methylpyrazol-3-yl)-5-[(3S)-oxolan-3-yl]oxybenzamide
CID 15949592
3-[[5-(azetidine-1-carbonyl)-2-pyridinyl]oxy]-N-[1-(diethoxyphosphorylmethyl)pyrazol-3-yl]-5-propan-2-yloxybenzamide
CID 166634935
3-[[6-(azetidine-1-carbonyl)-3-pyridinyl]oxy]-N-[(Z)-3-(difluoromethylamino)prop-2-enimidoyl]-5-(oxolan-3-yloxy)benzamide
CID 143391831
N-(1-methylpyrazol-3-yl)-3-(oxolan-3-yloxy)-5-[(5,7,7-trimethyl-4-oxo-6,8-dihydro-[1,3]thiazolo[5,4-c]azepin-2-yl)oxy]benzamide
CID 76692413
N-(1-ethylpyrazol-3-yl)-3-[2-fluoro-4-(pyrrolidine-1-carbonyl)phenoxy]-5-[(2S)-1-hydroxypropan-2-yl]oxybenzamide
CID 11547783
3-[[6-(azetidine-1-carbonyl)-3-pyridinyl]oxy]-5-(1-methoxypropan-2-yloxy)-N-(1-methylpyrazol-3-yl)benzamide
CID 69085165
3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-5-hydroxybenzoic acid
CID 67489556
3-[[6-(azetidine-1-carbonyl)-3-pyridinyl]oxy]-5-[(3R)-1-cyclopropyl-2-oxopyrrolidin-3-yl]oxy-N-(5-methylpyrazin-2-yl)benzamide
CID 24953015
N-[(Z)-1-amino-3-(methylamino)prop-2-enylidene]-3-[4-(azetidine-1-carbonyl)phenoxy]-5-[(3S)-oxolan-3-yl]oxybenzamide
CID 143406449

Frequently Asked Questions

What is the IUPAC name of 3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-N-(1-ethylpyrazol-3-yl)-5-(oxolan-3-yloxy)benzamide?
The IUPAC name of 3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-N-(1-ethylpyrazol-3-yl)-5-(oxolan-3-yloxy)benzamide (CID 73224081) is 3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-N-(1-ethylpyrazol-3-yl)-5-(oxolan-3-yloxy)benzamide.
What is the SMILES notation for 3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-N-(1-ethylpyrazol-3-yl)-5-(oxolan-3-yloxy)benzamide?
The canonical SMILES for 3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-N-(1-ethylpyrazol-3-yl)-5-(oxolan-3-yloxy)benzamide is CCn1ccc(NC(=O)c2cc(Oc3cnc(C(=O)N4CCC4)cn3)cc(OC3CCOC3)c2)n1.
What is the InChIKey of 3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-N-(1-ethylpyrazol-3-yl)-5-(oxolan-3-yloxy)benzamide?
The InChIKey is WPJXIBJQPPBGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O5/c1-2-30-8-4-21(28-30)27-23(31)16-10-18(34-17-5-9-33-15-17)12-19(11-16)35-22-14-25-20(13-26-22)24(32)29-6-3-7-29/h4,8,10-14,17H,2-3,5-7,9,15H2,1H3,(H,27,28,31).
What are the key properties of 3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-N-(1-ethylpyrazol-3-yl)-5-(oxolan-3-yloxy)benzamide?
3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-N-(1-ethylpyrazol-3-yl)-5-(oxolan-3-yloxy)benzamide has a molecular weight of 478.51 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-N-(1-ethylpyrazol-3-yl)-5-(oxolan-3-yloxy)benzamide is sourced from PubChem (CID 73224081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).