4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide

C22H23N5O4S — CID 90723785

IUPAC4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide
SMILESO=C(NCC1CCS(=O)(=O)C1)c1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1
InChIInChI=1S/C22H23N5O4S/c28-20(23-12-14-10-11-32(30,31)13-14)16-6-4-15(5-7-16)18-2-1-3-19-24-22(26-27(18)19)25-21(29)17-8-9-17/h1-7,14,17H,8-13H2,(H,23,28)(H,25,26,29)
InChIKeyMGMCCRFKYKCEEE-UHFFFAOYSA-N
MW453.52 g/mol
LogP1.91
Rot. Bonds6

About 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide

4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide (PubChem CID 90723785) has the molecular formula C22H23N5O4S and a molecular weight of 453.52 g/mol. Its IUPAC name is 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide
PubChem CID90723785
Molecular FormulaC22H23N5O4S
Molecular Weight453.52 g/mol
Exact Mass453.15
IUPAC Name4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide
SMILESO=C(NCC1CCS(=O)(=O)C1)c1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1
InChIInChI=1S/C22H23N5O4S/c28-20(23-12-14-10-11-32(30,31)13-14)16-6-4-15(5-7-16)18-2-1-3-19-24-22(26-27(18)19)25-21(29)17-8-9-17/h1-7,14,17H,8-13H2,(H,23,28)(H,25,26,29)
InChIKeyMGMCCRFKYKCEEE-UHFFFAOYSA-N
XLogP1.91
TPSA122.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide?
The IUPAC name of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide (CID 90723785) is 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide.
What is the SMILES notation for 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide?
The canonical SMILES for 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide is O=C(NCC1CCS(=O)(=O)C1)c1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1.
What is the InChIKey of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide?
The InChIKey is MGMCCRFKYKCEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4S/c28-20(23-12-14-10-11-32(30,31)13-14)16-6-4-15(5-7-16)18-2-1-3-19-24-22(26-27(18)19)25-21(29)17-8-9-17/h1-7,14,17H,8-13H2,(H,23,28)(H,25,26,29).
What are the key properties of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide?
4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide has a molecular weight of 453.52 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide is sourced from PubChem (CID 90723785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).