2-bromo-N-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]pyridin-4-amine

C20H22BrN5O — CID 165132137

IUPAC2-bromo-N-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]pyridin-4-amine
SMILESBrc1cc(NCc2cn3cc(C4CC4)cc(N4CCOCC4)c3n2)ccn1
InChIInChI=1S/C20H22BrN5O/c21-19-10-16(3-4-22-19)23-11-17-13-26-12-15(14-1-2-14)9-18(20(26)24-17)25-5-7-27-8-6-25/h3-4,9-10,12-14H,1-2,5-8,11H2,(H,22,23)
InChIKeyLKEVOQYHMFUWMM-UHFFFAOYSA-N
MW428.33 g/mol
LogP3.82
Rot. Bonds5

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

2-bromo-N-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]pyridin-4-amine (PubChem CID 165132137) has the molecular formula C20H22BrN5O and a molecular weight of 428.33 g/mol. Its IUPAC name is 2-bromo-N-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name2-bromo-N-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]pyridin-4-amine
PubChem CID165132137
Molecular FormulaC20H22BrN5O
Molecular Weight428.33 g/mol
Exact Mass427.10
IUPAC Name2-bromo-N-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]pyridin-4-amine
SMILESBrc1cc(NCc2cn3cc(C4CC4)cc(N4CCOCC4)c3n2)ccn1
InChIInChI=1S/C20H22BrN5O/c21-19-10-16(3-4-22-19)23-11-17-13-26-12-15(14-1-2-14)9-18(20(26)24-17)25-5-7-27-8-6-25/h3-4,9-10,12-14H,1-2,5-8,11H2,(H,22,23)
InChIKeyLKEVOQYHMFUWMM-UHFFFAOYSA-N
XLogP3.82
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.33
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]pyridin-4-amine?
The IUPAC name of 2-bromo-N-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]pyridin-4-amine (CID 165132137) is 2-bromo-N-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]pyridin-4-amine.
What is the SMILES notation for 2-bromo-N-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]pyridin-4-amine?
The canonical SMILES for 2-bromo-N-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]pyridin-4-amine is Brc1cc(NCc2cn3cc(C4CC4)cc(N4CCOCC4)c3n2)ccn1.
What is the InChIKey of 2-bromo-N-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]pyridin-4-amine?
The InChIKey is LKEVOQYHMFUWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN5O/c21-19-10-16(3-4-22-19)23-11-17-13-26-12-15(14-1-2-14)9-18(20(26)24-17)25-5-7-27-8-6-25/h3-4,9-10,12-14H,1-2,5-8,11H2,(H,22,23).
What are the key properties of 2-bromo-N-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]pyridin-4-amine?
2-bromo-N-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]pyridin-4-amine has a molecular weight of 428.33 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 165132137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).