[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(2-methylpiperidin-1-yl)methanone;[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(4-methylpiperidin-1-yl)methanone

C34H36Br2N10O4 — CID 70005930

IUPAC[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(2-methylpiperidin-1-yl)methanone;[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1cc(N)n2nc(-c3ccc(Br)o3)nc2c1.CC1CCN(C(=O)c2cc(N)n3nc(-c4ccc(Br)o4)nc3c2)CC1
InChIInChI=1S/2C17H18BrN5O2/c1-10-4-6-22(7-5-10)17(24)11-8-14(19)23-15(9-11)20-16(21-23)12-2-3-13(18)25-12;1-10-4-2-3-7-22(10)17(24)11-8-14(19)23-15(9-11)20-16(21-23)12-5-6-13(18)25-12/h2-3,8-10H,4-7,19H2,1H3;5-6,8-10H,2-4,7,19H2,1H3
InChIKeySDITXEZIUFZQDF-UHFFFAOYSA-N
MW808.54 g/mol
LogP6.55
Rot. Bonds4

About [5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(2-methylpiperidin-1-yl)methanone;[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(4-methylpiperidin-1-yl)methanone

[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(2-methylpiperidin-1-yl)methanone;[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 70005930) has the molecular formula C34H36Br2N10O4 and a molecular weight of 808.54 g/mol. Its IUPAC name is [5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(2-methylpiperidin-1-yl)methanone;[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(2-methylpiperidin-1-yl)methanone;[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID70005930
Molecular FormulaC34H36Br2N10O4
Molecular Weight808.54 g/mol
Exact Mass806.13
IUPAC Name[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(2-methylpiperidin-1-yl)methanone;[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1cc(N)n2nc(-c3ccc(Br)o3)nc2c1.CC1CCN(C(=O)c2cc(N)n3nc(-c4ccc(Br)o4)nc3c2)CC1
InChIInChI=1S/2C17H18BrN5O2/c1-10-4-6-22(7-5-10)17(24)11-8-14(19)23-15(9-11)20-16(21-23)12-2-3-13(18)25-12;1-10-4-2-3-7-22(10)17(24)11-8-14(19)23-15(9-11)20-16(21-23)12-5-6-13(18)25-12/h2-3,8-10H,4-7,19H2,1H3;5-6,8-10H,2-4,7,19H2,1H3
InChIKeySDITXEZIUFZQDF-UHFFFAOYSA-N
XLogP6.55
TPSA179.32 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500808.54
LogP ≤ 56.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze [5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(2-methylpiperidin-1-yl)methanone;[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(4-methylpiperidin-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]-(2-methylpiperidin-1-yl)methanone;[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(2-methylpiperidin-1-yl)methanone;[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(4-methylpiperidin-1-yl)methanone (CID 70005930) is [5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(2-methylpiperidin-1-yl)methanone;[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(4-methylpiperidin-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]-(2-methylpiperidin-1-yl)methanone;[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(2-methylpiperidin-1-yl)methanone;[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1cc(N)n2nc(-c3ccc(Br)o3)nc2c1.CC1CCN(C(=O)c2cc(N)n3nc(-c4ccc(Br)o4)nc3c2)CC1.
What is the InChIKey of [5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(2-methylpiperidin-1-yl)methanone;[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is SDITXEZIUFZQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H18BrN5O2/c1-10-4-6-22(7-5-10)17(24)11-8-14(19)23-15(9-11)20-16(21-23)12-2-3-13(18)25-12;1-10-4-2-3-7-22(10)17(24)11-8-14(19)23-15(9-11)20-16(21-23)12-5-6-13(18)25-12/h2-3,8-10H,4-7,19H2,1H3;5-6,8-10H,2-4,7,19H2,1H3.
What are the key properties of [5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(2-methylpiperidin-1-yl)methanone;[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(4-methylpiperidin-1-yl)methanone?
[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(2-methylpiperidin-1-yl)methanone;[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 808.54 g/mol, XLogP of 6.55, 4 rotatable bonds, 2 hydrogen bond donors, and 12 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]-(2-methylpiperidin-1-yl)methanone;[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 70005930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).