2-methoxy-1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]ethanone

C18H25N5O2 — CID 97362309

IUPAC2-methoxy-1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(c2nc3ccc(N4CCCC4)cn3n2)CC1
InChIInChI=1S/C18H25N5O2/c1-25-13-17(24)22-10-6-14(7-11-22)18-19-16-5-4-15(12-23(16)20-18)21-8-2-3-9-21/h4-5,12,14H,2-3,6-11,13H2,1H3
InChIKeyOWYLPMZJOSNMTC-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.68
Rot. Bonds4

About 2-methoxy-1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]ethanone

2-methoxy-1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]ethanone (PubChem CID 97362309) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-methoxy-1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]ethanone
PubChem CID97362309
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name2-methoxy-1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(c2nc3ccc(N4CCCC4)cn3n2)CC1
InChIInChI=1S/C18H25N5O2/c1-25-13-17(24)22-10-6-14(7-11-22)18-19-16-5-4-15(12-23(16)20-18)21-8-2-3-9-21/h4-5,12,14H,2-3,6-11,13H2,1H3
InChIKeyOWYLPMZJOSNMTC-UHFFFAOYSA-N
XLogP1.68
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]ethanone (CID 97362309) is 2-methoxy-1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]ethanone is COCC(=O)N1CCC(c2nc3ccc(N4CCCC4)cn3n2)CC1.
What is the InChIKey of 2-methoxy-1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]ethanone?
The InChIKey is OWYLPMZJOSNMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-25-13-17(24)22-10-6-14(7-11-22)18-19-16-5-4-15(12-23(16)20-18)21-8-2-3-9-21/h4-5,12,14H,2-3,6-11,13H2,1H3.
What are the key properties of 2-methoxy-1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]ethanone?
2-methoxy-1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]ethanone has a molecular weight of 343.43 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 97362309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).