[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone

C17H18BrN5O3 — CID 10202273

IUPAC[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOC[C@@H]1CCCN1C(=O)c1cc(N)n2nc(-c3ccc(Br)o3)nc2c1
InChIInChI=1S/C17H18BrN5O3/c1-25-9-11-3-2-6-22(11)17(24)10-7-14(19)23-15(8-10)20-16(21-23)12-4-5-13(18)26-12/h4-5,7-8,11H,2-3,6,9,19H2,1H3/t11-/m0/s1
InChIKeyPETARVSUFSTELX-NSHDSACASA-N
MW420.27 g/mol
LogP2.59
Rot. Bonds4

About [5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone

[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 10202273) has the molecular formula C17H18BrN5O3 and a molecular weight of 420.27 g/mol. Its IUPAC name is [5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
PubChem CID10202273
Molecular FormulaC17H18BrN5O3
Molecular Weight420.27 g/mol
Exact Mass419.06
IUPAC Name[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOC[C@@H]1CCCN1C(=O)c1cc(N)n2nc(-c3ccc(Br)o3)nc2c1
InChIInChI=1S/C17H18BrN5O3/c1-25-9-11-3-2-6-22(11)17(24)10-7-14(19)23-15(8-10)20-16(21-23)12-4-5-13(18)26-12/h4-5,7-8,11H,2-3,6,9,19H2,1H3/t11-/m0/s1
InChIKeyPETARVSUFSTELX-NSHDSACASA-N
XLogP2.59
TPSA98.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.27
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone (CID 10202273) is [5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone is COC[C@@H]1CCCN1C(=O)c1cc(N)n2nc(-c3ccc(Br)o3)nc2c1.
What is the InChIKey of [5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is PETARVSUFSTELX-NSHDSACASA-N. The full InChI is InChI=1S/C17H18BrN5O3/c1-25-9-11-3-2-6-22(11)17(24)10-7-14(19)23-15(8-10)20-16(21-23)12-4-5-13(18)26-12/h4-5,7-8,11H,2-3,6,9,19H2,1H3/t11-/m0/s1.
What are the key properties of [5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone?
[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 420.27 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 10202273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).