2-bromo-N-[[6-cyclopropyl-8-(1-oxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyridin-4-amine

C19H20BrN5OS — CID 165131712

IUPAC2-bromo-N-[[6-cyclopropyl-8-(1-oxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyridin-4-amine
SMILESO=S1CCCN1c1cc(C2CC2)cn2cc(CNc3ccnc(Br)c3)nc12
InChIInChI=1S/C19H20BrN5OS/c20-18-9-15(4-5-21-18)22-10-16-12-24-11-14(13-2-3-13)8-17(19(24)23-16)25-6-1-7-27(25)26/h4-5,8-9,11-13H,1-3,6-7,10H2,(H,21,22)
InChIKeyWLWAFRAUDYWRMQ-UHFFFAOYSA-N
MW446.37 g/mol
LogP3.86
Rot. Bonds5

About 2-bromo-N-[[6-cyclopropyl-8-(1-oxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyridin-4-amine

2-bromo-N-[[6-cyclopropyl-8-(1-oxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyridin-4-amine (PubChem CID 165131712) has the molecular formula C19H20BrN5OS and a molecular weight of 446.37 g/mol. Its IUPAC name is 2-bromo-N-[[6-cyclopropyl-8-(1-oxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyridin-4-amine.

Molecular Properties

Compound Name2-bromo-N-[[6-cyclopropyl-8-(1-oxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyridin-4-amine
PubChem CID165131712
Molecular FormulaC19H20BrN5OS
Molecular Weight446.37 g/mol
Exact Mass445.06
IUPAC Name2-bromo-N-[[6-cyclopropyl-8-(1-oxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyridin-4-amine
SMILESO=S1CCCN1c1cc(C2CC2)cn2cc(CNc3ccnc(Br)c3)nc12
InChIInChI=1S/C19H20BrN5OS/c20-18-9-15(4-5-21-18)22-10-16-12-24-11-14(13-2-3-13)8-17(19(24)23-16)25-6-1-7-27(25)26/h4-5,8-9,11-13H,1-3,6-7,10H2,(H,21,22)
InChIKeyWLWAFRAUDYWRMQ-UHFFFAOYSA-N
XLogP3.86
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[6-cyclopropyl-8-(1-oxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyridin-4-amine?
The IUPAC name of 2-bromo-N-[[6-cyclopropyl-8-(1-oxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyridin-4-amine (CID 165131712) is 2-bromo-N-[[6-cyclopropyl-8-(1-oxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyridin-4-amine.
What is the SMILES notation for 2-bromo-N-[[6-cyclopropyl-8-(1-oxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyridin-4-amine?
The canonical SMILES for 2-bromo-N-[[6-cyclopropyl-8-(1-oxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyridin-4-amine is O=S1CCCN1c1cc(C2CC2)cn2cc(CNc3ccnc(Br)c3)nc12.
What is the InChIKey of 2-bromo-N-[[6-cyclopropyl-8-(1-oxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyridin-4-amine?
The InChIKey is WLWAFRAUDYWRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN5OS/c20-18-9-15(4-5-21-18)22-10-16-12-24-11-14(13-2-3-13)8-17(19(24)23-16)25-6-1-7-27(25)26/h4-5,8-9,11-13H,1-3,6-7,10H2,(H,21,22).
What are the key properties of 2-bromo-N-[[6-cyclopropyl-8-(1-oxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyridin-4-amine?
2-bromo-N-[[6-cyclopropyl-8-(1-oxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyridin-4-amine has a molecular weight of 446.37 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[6-cyclopropyl-8-(1-oxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyridin-4-amine is sourced from PubChem (CID 165131712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).