5-N-[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-N-(oxan-4-yl)pyridine-2,5-diamine

C21H20BrN7O — CID 156725811

IUPAC5-N-[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-N-(oxan-4-yl)pyridine-2,5-diamine
SMILESBrc1ccc2ncc(-c3ccnc(Nc4ccc(NC5CCOCC5)nc4)n3)n2c1
InChIInChI=1S/C21H20BrN7O/c22-14-1-4-20-25-12-18(29(20)13-14)17-5-8-23-21(28-17)27-16-2-3-19(24-11-16)26-15-6-9-30-10-7-15/h1-5,8,11-13,15H,6-7,9-10H2,(H,24,26)(H,23,27,28)
InChIKeyUJPSFQZRRBVRGG-UHFFFAOYSA-N
MW466.34 g/mol
LogP4.28
Rot. Bonds5

About 5-N-[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-N-(oxan-4-yl)pyridine-2,5-diamine

5-N-[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-N-(oxan-4-yl)pyridine-2,5-diamine (PubChem CID 156725811) has the molecular formula C21H20BrN7O and a molecular weight of 466.34 g/mol. Its IUPAC name is 5-N-[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-N-(oxan-4-yl)pyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-N-(oxan-4-yl)pyridine-2,5-diamine
PubChem CID156725811
Molecular FormulaC21H20BrN7O
Molecular Weight466.34 g/mol
Exact Mass465.09
IUPAC Name5-N-[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-N-(oxan-4-yl)pyridine-2,5-diamine
SMILESBrc1ccc2ncc(-c3ccnc(Nc4ccc(NC5CCOCC5)nc4)n3)n2c1
InChIInChI=1S/C21H20BrN7O/c22-14-1-4-20-25-12-18(29(20)13-14)17-5-8-23-21(28-17)27-16-2-3-19(24-11-16)26-15-6-9-30-10-7-15/h1-5,8,11-13,15H,6-7,9-10H2,(H,24,26)(H,23,27,28)
InChIKeyUJPSFQZRRBVRGG-UHFFFAOYSA-N
XLogP4.28
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.34
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-N-[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-N-(oxan-4-yl)pyridine-2,5-diamine?
The IUPAC name of 5-N-[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-N-(oxan-4-yl)pyridine-2,5-diamine (CID 156725811) is 5-N-[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-N-(oxan-4-yl)pyridine-2,5-diamine.
What is the SMILES notation for 5-N-[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-N-(oxan-4-yl)pyridine-2,5-diamine?
The canonical SMILES for 5-N-[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-N-(oxan-4-yl)pyridine-2,5-diamine is Brc1ccc2ncc(-c3ccnc(Nc4ccc(NC5CCOCC5)nc4)n3)n2c1.
What is the InChIKey of 5-N-[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-N-(oxan-4-yl)pyridine-2,5-diamine?
The InChIKey is UJPSFQZRRBVRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN7O/c22-14-1-4-20-25-12-18(29(20)13-14)17-5-8-23-21(28-17)27-16-2-3-19(24-11-16)26-15-6-9-30-10-7-15/h1-5,8,11-13,15H,6-7,9-10H2,(H,24,26)(H,23,27,28).
What are the key properties of 5-N-[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-N-(oxan-4-yl)pyridine-2,5-diamine?
5-N-[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-N-(oxan-4-yl)pyridine-2,5-diamine has a molecular weight of 466.34 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[4-(6-bromoimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]-2-N-(oxan-4-yl)pyridine-2,5-diamine is sourced from PubChem (CID 156725811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).