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

C24H28N6O3 — CID 58374628

IUPAC4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(NCCCN1CCOCC1)c1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1
InChIInChI=1S/C24H28N6O3/c31-22(25-11-2-12-29-13-15-33-16-14-29)18-7-5-17(6-8-18)20-3-1-4-21-26-24(28-30(20)21)27-23(32)19-9-10-19/h1,3-8,19H,2,9-16H2,(H,25,31)(H,27,28,32)
InChIKeySAHMUMUUSIYCGG-UHFFFAOYSA-N
MW448.53 g/mol
LogP2.20
Rot. Bonds8

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

4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 58374628) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID58374628
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Name4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(NCCCN1CCOCC1)c1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1
InChIInChI=1S/C24H28N6O3/c31-22(25-11-2-12-29-13-15-33-16-14-29)18-7-5-17(6-8-18)20-3-1-4-21-26-24(28-30(20)21)27-23(32)19-9-10-19/h1,3-8,19H,2,9-16H2,(H,25,31)(H,27,28,32)
InChIKeySAHMUMUUSIYCGG-UHFFFAOYSA-N
XLogP2.20
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(3-morpholin-4-ylpropyl)benzamide (CID 58374628) is 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(3-morpholin-4-ylpropyl)benzamide is O=C(NCCCN1CCOCC1)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-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is SAHMUMUUSIYCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c31-22(25-11-2-12-29-13-15-33-16-14-29)18-7-5-17(6-8-18)20-3-1-4-21-26-24(28-30(20)21)27-23(32)19-9-10-19/h1,3-8,19H,2,9-16H2,(H,25,31)(H,27,28,32).
What are the key properties of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(3-morpholin-4-ylpropyl)benzamide?
4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 448.53 g/mol, XLogP of 2.20, 8 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-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 58374628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).