N-[[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methyl]cyclopentanecarboxamide

C17H18BrN5O2 — CID 86758788

IUPACN-[[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methyl]cyclopentanecarboxamide
SMILESNc1cc(CNC(=O)C2CCCC2)cc2nc(-c3ccc(Br)o3)nn12
InChIInChI=1S/C17H18BrN5O2/c18-13-6-5-12(25-13)16-21-15-8-10(7-14(19)23(15)22-16)9-20-17(24)11-3-1-2-4-11/h5-8,11H,1-4,9,19H2,(H,20,24)
InChIKeyADAZQTHFBIHNRE-UHFFFAOYSA-N
MW404.27 g/mol
LogP3.14
Rot. Bonds4

About N-[[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methyl]cyclopentanecarboxamide

N-[[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methyl]cyclopentanecarboxamide (PubChem CID 86758788) has the molecular formula C17H18BrN5O2 and a molecular weight of 404.27 g/mol. Its IUPAC name is N-[[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methyl]cyclopentanecarboxamide
PubChem CID86758788
Molecular FormulaC17H18BrN5O2
Molecular Weight404.27 g/mol
Exact Mass403.06
IUPAC NameN-[[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methyl]cyclopentanecarboxamide
SMILESNc1cc(CNC(=O)C2CCCC2)cc2nc(-c3ccc(Br)o3)nn12
InChIInChI=1S/C17H18BrN5O2/c18-13-6-5-12(25-13)16-21-15-8-10(7-14(19)23(15)22-16)9-20-17(24)11-3-1-2-4-11/h5-8,11H,1-4,9,19H2,(H,20,24)
InChIKeyADAZQTHFBIHNRE-UHFFFAOYSA-N
XLogP3.14
TPSA98.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.27
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methyl]cyclopentanecarboxamide with MolForge

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Related Compounds

N-benzylcyclopentanecarboxamide
CID 835634
N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]cyclopentanecarboxamide
CID 110786846
N-[(4-carbamothioylphenyl)methyl]cyclooctanecarboxamide
CID 65018764
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
CID 43972651
N-(1H-pyrrol-3-ylmethyl)cycloheptanecarboxamide
CID 106385859
N-[[4-(2-aminoethyl)phenyl]methyl]cyclooctanecarboxamide
CID 65022816
N-[(3,4-difluorophenyl)methyl]cyclopentanecarboxamide
CID 110781018
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide
CID 18119554
3-[(cyclohexanecarbonylamino)methyl]benzoic acid
CID 60895668
N-(1,3-benzoxazol-2-ylmethyl)cyclohexanecarboxamide
CID 110711622
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]cyclohexanecarboxamide
CID 110785342
N-benzylcyclobutanecarboxamide
CID 730128

Frequently Asked Questions

What is the IUPAC name of N-[[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methyl]cyclopentanecarboxamide?
The IUPAC name of N-[[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methyl]cyclopentanecarboxamide (CID 86758788) is N-[[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methyl]cyclopentanecarboxamide is Nc1cc(CNC(=O)C2CCCC2)cc2nc(-c3ccc(Br)o3)nn12.
What is the InChIKey of N-[[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methyl]cyclopentanecarboxamide?
The InChIKey is ADAZQTHFBIHNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN5O2/c18-13-6-5-12(25-13)16-21-15-8-10(7-14(19)23(15)22-16)9-20-17(24)11-3-1-2-4-11/h5-8,11H,1-4,9,19H2,(H,20,24).
What are the key properties of N-[[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methyl]cyclopentanecarboxamide?
N-[[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methyl]cyclopentanecarboxamide has a molecular weight of 404.27 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-amino-2-(5-bromofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 86758788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).