N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-cyclopentylsulfanylpyridine-3-carboxamide

C19H19BrN4OS — CID 55977297

IUPACN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-cyclopentylsulfanylpyridine-3-carboxamide
SMILESO=C(NCc1cn2cc(Br)ccc2n1)c1cccnc1SC1CCCC1
InChIInChI=1S/C19H19BrN4OS/c20-13-7-8-17-23-14(12-24(17)11-13)10-22-18(25)16-6-3-9-21-19(16)26-15-4-1-2-5-15/h3,6-9,11-12,15H,1-2,4-5,10H2,(H,22,25)
InChIKeyKTKDDWVXZKUCEG-UHFFFAOYSA-N
MW431.36 g/mol
LogP4.46
Rot. Bonds5

About N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-cyclopentylsulfanylpyridine-3-carboxamide

N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-cyclopentylsulfanylpyridine-3-carboxamide (PubChem CID 55977297) has the molecular formula C19H19BrN4OS and a molecular weight of 431.36 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-cyclopentylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-cyclopentylsulfanylpyridine-3-carboxamide
PubChem CID55977297
Molecular FormulaC19H19BrN4OS
Molecular Weight431.36 g/mol
Exact Mass430.05
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-cyclopentylsulfanylpyridine-3-carboxamide
SMILESO=C(NCc1cn2cc(Br)ccc2n1)c1cccnc1SC1CCCC1
InChIInChI=1S/C19H19BrN4OS/c20-13-7-8-17-23-14(12-24(17)11-13)10-22-18(25)16-6-3-9-21-19(16)26-15-4-1-2-5-15/h3,6-9,11-12,15H,1-2,4-5,10H2,(H,22,25)
InChIKeyKTKDDWVXZKUCEG-UHFFFAOYSA-N
XLogP4.46
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.36
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-cyclopentylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-cyclopentylsulfanylpyridine-3-carboxamide (CID 55977297) is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-cyclopentylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-cyclopentylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-cyclopentylsulfanylpyridine-3-carboxamide is O=C(NCc1cn2cc(Br)ccc2n1)c1cccnc1SC1CCCC1.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-cyclopentylsulfanylpyridine-3-carboxamide?
The InChIKey is KTKDDWVXZKUCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4OS/c20-13-7-8-17-23-14(12-24(17)11-13)10-22-18(25)16-6-3-9-21-19(16)26-15-4-1-2-5-15/h3,6-9,11-12,15H,1-2,4-5,10H2,(H,22,25).
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-cyclopentylsulfanylpyridine-3-carboxamide?
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-cyclopentylsulfanylpyridine-3-carboxamide has a molecular weight of 431.36 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-cyclopentylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 55977297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).