5-amino-N-benzyl-2-(5-chlorofuran-2-yl)-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide

C21H20ClN5O2 — CID 23552590

IUPAC5-amino-N-benzyl-2-(5-chlorofuran-2-yl)-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cc(N)n2nc(-c3ccc(Cl)o3)nc2c1
InChIInChI=1S/C21H20ClN5O2/c1-13(2)26(12-14-6-4-3-5-7-14)21(28)15-10-18(23)27-19(11-15)24-20(25-27)16-8-9-17(22)29-16/h3-11,13H,12,23H2,1-2H3
InChIKeyUOANNCWBTWYSKC-UHFFFAOYSA-N
MW409.88 g/mol
LogP4.28
Rot. Bonds5

About 5-amino-N-benzyl-2-(5-chlorofuran-2-yl)-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide

5-amino-N-benzyl-2-(5-chlorofuran-2-yl)-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide (PubChem CID 23552590) has the molecular formula C21H20ClN5O2 and a molecular weight of 409.88 g/mol. Its IUPAC name is 5-amino-N-benzyl-2-(5-chlorofuran-2-yl)-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name5-amino-N-benzyl-2-(5-chlorofuran-2-yl)-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
PubChem CID23552590
Molecular FormulaC21H20ClN5O2
Molecular Weight409.88 g/mol
Exact Mass409.13
IUPAC Name5-amino-N-benzyl-2-(5-chlorofuran-2-yl)-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cc(N)n2nc(-c3ccc(Cl)o3)nc2c1
InChIInChI=1S/C21H20ClN5O2/c1-13(2)26(12-14-6-4-3-5-7-14)21(28)15-10-18(23)27-19(11-15)24-20(25-27)16-8-9-17(22)29-16/h3-11,13H,12,23H2,1-2H3
InChIKeyUOANNCWBTWYSKC-UHFFFAOYSA-N
XLogP4.28
TPSA89.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.88
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-benzyl-2-(5-chlorofuran-2-yl)-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of 5-amino-N-benzyl-2-(5-chlorofuran-2-yl)-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide (CID 23552590) is 5-amino-N-benzyl-2-(5-chlorofuran-2-yl)-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for 5-amino-N-benzyl-2-(5-chlorofuran-2-yl)-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for 5-amino-N-benzyl-2-(5-chlorofuran-2-yl)-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide is CC(C)N(Cc1ccccc1)C(=O)c1cc(N)n2nc(-c3ccc(Cl)o3)nc2c1.
What is the InChIKey of 5-amino-N-benzyl-2-(5-chlorofuran-2-yl)-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The InChIKey is UOANNCWBTWYSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O2/c1-13(2)26(12-14-6-4-3-5-7-14)21(28)15-10-18(23)27-19(11-15)24-20(25-27)16-8-9-17(22)29-16/h3-11,13H,12,23H2,1-2H3.
What are the key properties of 5-amino-N-benzyl-2-(5-chlorofuran-2-yl)-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
5-amino-N-benzyl-2-(5-chlorofuran-2-yl)-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide has a molecular weight of 409.88 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-benzyl-2-(5-chlorofuran-2-yl)-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 23552590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).