methyl 2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate

C15H20N4O2 — CID 117133589

IUPACmethyl 2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2nc(C3CCN(C(C)C)C3)nc2c1
InChIInChI=1S/C15H20N4O2/c1-10(2)18-6-4-12(9-18)14-16-13-8-11(15(20)21-3)5-7-19(13)17-14/h5,7-8,10,12H,4,6,9H2,1-3H3
InChIKeyDLWMTSQRDYQWDJ-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.71
Rot. Bonds3

About methyl 2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate

methyl 2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate (PubChem CID 117133589) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is methyl 2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
PubChem CID117133589
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Namemethyl 2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2nc(C3CCN(C(C)C)C3)nc2c1
InChIInChI=1S/C15H20N4O2/c1-10(2)18-6-4-12(9-18)14-16-13-8-11(15(20)21-3)5-7-19(13)17-14/h5,7-8,10,12H,4,6,9H2,1-3H3
InChIKeyDLWMTSQRDYQWDJ-UHFFFAOYSA-N
XLogP1.71
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate with MolForge

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Related Compounds

2-(1-propan-2-ylpiperidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 117134101
2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine
CID 117133557
methyl 2-pyrrolidin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117133580
[2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanamine
CID 117133485
methyl 2-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117134357
methyl 2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117135307
2-(1-ethylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 117133715
methyl 2-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylate
CID 117133970
5-chloro-2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117131179
methyl 2-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117257939
methyl 2-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117135296
methyl 2-(thiolan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117134480

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate?
The IUPAC name of methyl 2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate (CID 117133589) is methyl 2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate is COC(=O)c1ccn2nc(C3CCN(C(C)C)C3)nc2c1.
What is the InChIKey of methyl 2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate?
The InChIKey is DLWMTSQRDYQWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10(2)18-6-4-12(9-18)14-16-13-8-11(15(20)21-3)5-7-19(13)17-14/h5,7-8,10,12H,4,6,9H2,1-3H3.
What are the key properties of methyl 2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate?
methyl 2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate has a molecular weight of 288.35 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate is sourced from PubChem (CID 117133589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).