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

C23H26N6O2 — CID 58374810

IUPAC4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(NC(=O)c2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)CC1
InChIInChI=1S/C23H26N6O2/c1-28-13-11-18(12-14-28)24-21(30)16-7-5-15(6-8-16)19-3-2-4-20-25-23(27-29(19)20)26-22(31)17-9-10-17/h2-8,17-18H,9-14H2,1H3,(H,24,30)(H,26,27,31)
InChIKeyFPJZVYYVOSJXHW-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.57
Rot. Bonds5

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

4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 58374810) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID58374810
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(NC(=O)c2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)CC1
InChIInChI=1S/C23H26N6O2/c1-28-13-11-18(12-14-28)24-21(30)16-7-5-15(6-8-16)19-3-2-4-20-25-23(27-29(19)20)26-22(31)17-9-10-17/h2-8,17-18H,9-14H2,1H3,(H,24,30)(H,26,27,31)
InChIKeyFPJZVYYVOSJXHW-UHFFFAOYSA-N
XLogP2.57
TPSA91.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-methylpiperidin-4-yl)benzamide?
The IUPAC name of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(1-methylpiperidin-4-yl)benzamide (CID 58374810) is 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(1-methylpiperidin-4-yl)benzamide is CN1CCC(NC(=O)c2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)CC1.
What is the InChIKey of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is FPJZVYYVOSJXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-28-13-11-18(12-14-28)24-21(30)16-7-5-15(6-8-16)19-3-2-4-20-25-23(27-29(19)20)26-22(31)17-9-10-17/h2-8,17-18H,9-14H2,1H3,(H,24,30)(H,26,27,31).
What are the key properties of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(1-methylpiperidin-4-yl)benzamide?
4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 418.50 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 58374810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).