5-amino-N-(cyclopropylmethyl)-N-propyl-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide

C17H20N6OS — CID 23552657

IUPAC5-amino-N-(cyclopropylmethyl)-N-propyl-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
SMILESCCCN(CC1CC1)C(=O)c1cc(N)n2nc(-c3nccs3)nc2c1
InChIInChI=1S/C17H20N6OS/c1-2-6-22(10-11-3-4-11)17(24)12-8-13(18)23-14(9-12)20-15(21-23)16-19-5-7-25-16/h5,7-9,11H,2-4,6,10,18H2,1H3
InChIKeyDVDUTRCZTJGRPD-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.70
Rot. Bonds6

About 5-amino-N-(cyclopropylmethyl)-N-propyl-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide

5-amino-N-(cyclopropylmethyl)-N-propyl-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide (PubChem CID 23552657) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is 5-amino-N-(cyclopropylmethyl)-N-propyl-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name5-amino-N-(cyclopropylmethyl)-N-propyl-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
PubChem CID23552657
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC Name5-amino-N-(cyclopropylmethyl)-N-propyl-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
SMILESCCCN(CC1CC1)C(=O)c1cc(N)n2nc(-c3nccs3)nc2c1
InChIInChI=1S/C17H20N6OS/c1-2-6-22(10-11-3-4-11)17(24)12-8-13(18)23-14(9-12)20-15(21-23)16-19-5-7-25-16/h5,7-9,11H,2-4,6,10,18H2,1H3
InChIKeyDVDUTRCZTJGRPD-UHFFFAOYSA-N
XLogP2.70
TPSA89.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(cyclopropylmethyl)-N-propyl-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of 5-amino-N-(cyclopropylmethyl)-N-propyl-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide (CID 23552657) is 5-amino-N-(cyclopropylmethyl)-N-propyl-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for 5-amino-N-(cyclopropylmethyl)-N-propyl-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for 5-amino-N-(cyclopropylmethyl)-N-propyl-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide is CCCN(CC1CC1)C(=O)c1cc(N)n2nc(-c3nccs3)nc2c1.
What is the InChIKey of 5-amino-N-(cyclopropylmethyl)-N-propyl-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The InChIKey is DVDUTRCZTJGRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6OS/c1-2-6-22(10-11-3-4-11)17(24)12-8-13(18)23-14(9-12)20-15(21-23)16-19-5-7-25-16/h5,7-9,11H,2-4,6,10,18H2,1H3.
What are the key properties of 5-amino-N-(cyclopropylmethyl)-N-propyl-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
5-amino-N-(cyclopropylmethyl)-N-propyl-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide has a molecular weight of 356.46 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(cyclopropylmethyl)-N-propyl-2-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 23552657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).