4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine

C20H19BrN8 — CID 156725820

IUPAC4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine
SMILESBrc1ccc2ncc(-c3ccnc(Nc4ccc(N5CCNCC5)nc4)n3)n2c1
InChIInChI=1S/C20H19BrN8/c21-14-1-3-19-25-12-17(29(19)13-14)16-5-6-23-20(27-16)26-15-2-4-18(24-11-15)28-9-7-22-8-10-28/h1-6,11-13,22H,7-10H2,(H,23,26,27)
InChIKeyHSQGLXFSJSTEOR-UHFFFAOYSA-N
MW451.33 g/mol
LogP3.10
Rot. Bonds4

About 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine

4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine (PubChem CID 156725820) has the molecular formula C20H19BrN8 and a molecular weight of 451.33 g/mol. Its IUPAC name is 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine
PubChem CID156725820
Molecular FormulaC20H19BrN8
Molecular Weight451.33 g/mol
Exact Mass450.09
IUPAC Name4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine
SMILESBrc1ccc2ncc(-c3ccnc(Nc4ccc(N5CCNCC5)nc4)n3)n2c1
InChIInChI=1S/C20H19BrN8/c21-14-1-3-19-25-12-17(29(19)13-14)16-5-6-23-20(27-16)26-15-2-4-18(24-11-15)28-9-7-22-8-10-28/h1-6,11-13,22H,7-10H2,(H,23,26,27)
InChIKeyHSQGLXFSJSTEOR-UHFFFAOYSA-N
XLogP3.10
TPSA83.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.33
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine?
The IUPAC name of 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine (CID 156725820) is 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine is Brc1ccc2ncc(-c3ccnc(Nc4ccc(N5CCNCC5)nc4)n3)n2c1.
What is the InChIKey of 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine?
The InChIKey is HSQGLXFSJSTEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN8/c21-14-1-3-19-25-12-17(29(19)13-14)16-5-6-23-20(27-16)26-15-2-4-18(24-11-15)28-9-7-22-8-10-28/h1-6,11-13,22H,7-10H2,(H,23,26,27).
What are the key properties of 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine?
4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine has a molecular weight of 451.33 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 156725820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).