3-[1-(2-methoxyethyl)pyrrolidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C20H25N5O3 — CID 134075489

IUPAC3-[1-(2-methoxyethyl)pyrrolidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCOCCN1CCC(c2nnc3ccc(C(=O)NCc4ccc(C)o4)cn23)C1
InChIInChI=1S/C20H25N5O3/c1-14-3-5-17(28-14)11-21-20(26)16-4-6-18-22-23-19(25(18)13-16)15-7-8-24(12-15)9-10-27-2/h3-6,13,15H,7-12H2,1-2H3,(H,21,26)
InChIKeyOIRYNJJXUADNQB-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.00
Rot. Bonds7

About 3-[1-(2-methoxyethyl)pyrrolidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

3-[1-(2-methoxyethyl)pyrrolidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 134075489) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 3-[1-(2-methoxyethyl)pyrrolidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[1-(2-methoxyethyl)pyrrolidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID134075489
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name3-[1-(2-methoxyethyl)pyrrolidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCOCCN1CCC(c2nnc3ccc(C(=O)NCc4ccc(C)o4)cn23)C1
InChIInChI=1S/C20H25N5O3/c1-14-3-5-17(28-14)11-21-20(26)16-4-6-18-22-23-19(25(18)13-16)15-7-8-24(12-15)9-10-27-2/h3-6,13,15H,7-12H2,1-2H3,(H,21,26)
InChIKeyOIRYNJJXUADNQB-UHFFFAOYSA-N
XLogP2.00
TPSA84.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methoxyethyl)pyrrolidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of 3-[1-(2-methoxyethyl)pyrrolidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 134075489) is 3-[1-(2-methoxyethyl)pyrrolidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-[1-(2-methoxyethyl)pyrrolidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for 3-[1-(2-methoxyethyl)pyrrolidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is COCCN1CCC(c2nnc3ccc(C(=O)NCc4ccc(C)o4)cn23)C1.
What is the InChIKey of 3-[1-(2-methoxyethyl)pyrrolidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is OIRYNJJXUADNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-14-3-5-17(28-14)11-21-20(26)16-4-6-18-22-23-19(25(18)13-16)15-7-8-24(12-15)9-10-27-2/h3-6,13,15H,7-12H2,1-2H3,(H,21,26).
What are the key properties of 3-[1-(2-methoxyethyl)pyrrolidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
3-[1-(2-methoxyethyl)pyrrolidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxyethyl)pyrrolidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 134075489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).