1-[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide

C18H19BrN6O3 — CID 20620142

IUPAC1-[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1C(=O)c1cc(N)c2nc(-c3ccc(Br)o3)nn2c1
InChIInChI=1S/C18H19BrN6O3/c1-23(2)18(27)12-4-3-7-24(12)17(26)10-8-11(20)16-21-15(22-25(16)9-10)13-5-6-14(19)28-13/h5-6,8-9,12H,3-4,7,20H2,1-2H3
InChIKeyMHQDTQOPQRSKQC-UHFFFAOYSA-N
MW447.29 g/mol
LogP2.03
Rot. Bonds3

About 1-[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide

1-[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 20620142) has the molecular formula C18H19BrN6O3 and a molecular weight of 447.29 g/mol. Its IUPAC name is 1-[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID20620142
Molecular FormulaC18H19BrN6O3
Molecular Weight447.29 g/mol
Exact Mass446.07
IUPAC Name1-[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1C(=O)c1cc(N)c2nc(-c3ccc(Br)o3)nn2c1
InChIInChI=1S/C18H19BrN6O3/c1-23(2)18(27)12-4-3-7-24(12)17(26)10-8-11(20)16-21-15(22-25(16)9-10)13-5-6-14(19)28-13/h5-6,8-9,12H,3-4,7,20H2,1-2H3
InChIKeyMHQDTQOPQRSKQC-UHFFFAOYSA-N
XLogP2.03
TPSA109.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide with MolForge

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Related Compounds

8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine-6-carboxylic acid butylamide
CID 11652346
5-Amino-8-(furan-2-yl)-1-methyl-3-[2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[5,1-f]purin-2-one
CID 56943869
1-(4-Bromophenyl)-3-[11-butyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]urea
CID 10918042
1-(4-Bromophenyl)-3-[11-ethyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]urea
CID 11037972
1-(4-Bromophenyl)-3-[4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]urea
CID 11144868
1-[4-(Furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-pyridin-3-ylurea
CID 11545273
1-[4-(Furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-pyridin-3-ylurea;hydrochloride
CID 11683024
1-(4-Bromophenyl)-3-[4-(furan-2-yl)-11-propyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]urea
CID 11733556
5-amino-2-(5-bromofuran-2-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
CID 9823491
[8-Amino-2-(5-methyl-furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-pyrrolidin-1-yl-methanone
CID 9901296
(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-yl-methanone
CID 9944058
[8-Amino-2-(5-methyl-furan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-piperidin-1-yl-methanone
CID 9945155

Frequently Asked Questions

What is the IUPAC name of 1-[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 20620142) is 1-[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1C(=O)c1cc(N)c2nc(-c3ccc(Br)o3)nn2c1.
What is the InChIKey of 1-[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is MHQDTQOPQRSKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN6O3/c1-23(2)18(27)12-4-3-7-24(12)17(26)10-8-11(20)16-21-15(22-25(16)9-10)13-5-6-14(19)28-13/h5-6,8-9,12H,3-4,7,20H2,1-2H3.
What are the key properties of 1-[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide?
1-[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 447.29 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 20620142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).