4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine

C21H21BrN8 — CID 155573021

IUPAC4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine
SMILESCN1CCN(c2ccc(Nc3nccc(-c4cnc5ccc(Br)cn45)n3)nc2)CC1
InChIInChI=1S/C21H21BrN8/c1-28-8-10-29(11-9-28)16-3-4-19(24-12-16)27-21-23-7-6-17(26-21)18-13-25-20-5-2-15(22)14-30(18)20/h2-7,12-14H,8-11H2,1H3,(H,23,24,26,27)
InChIKeyLETSXYMTQGIDHI-UHFFFAOYSA-N
MW465.36 g/mol
LogP3.44
Rot. Bonds4

About 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine

4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine (PubChem CID 155573021) has the molecular formula C21H21BrN8 and a molecular weight of 465.36 g/mol. Its IUPAC name is 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine
PubChem CID155573021
Molecular FormulaC21H21BrN8
Molecular Weight465.36 g/mol
Exact Mass464.11
IUPAC Name4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine
SMILESCN1CCN(c2ccc(Nc3nccc(-c4cnc5ccc(Br)cn45)n3)nc2)CC1
InChIInChI=1S/C21H21BrN8/c1-28-8-10-29(11-9-28)16-3-4-19(24-12-16)27-21-23-7-6-17(26-21)18-13-25-20-5-2-15(22)14-30(18)20/h2-7,12-14H,8-11H2,1H3,(H,23,24,26,27)
InChIKeyLETSXYMTQGIDHI-UHFFFAOYSA-N
XLogP3.44
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
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-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine (CID 155573021) is 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine is CN1CCN(c2ccc(Nc3nccc(-c4cnc5ccc(Br)cn45)n3)nc2)CC1.
What is the InChIKey of 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is LETSXYMTQGIDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN8/c1-28-8-10-29(11-9-28)16-3-4-19(24-12-16)27-21-23-7-6-17(26-21)18-13-25-20-5-2-15(22)14-30(18)20/h2-7,12-14H,8-11H2,1H3,(H,23,24,26,27).
What are the key properties of 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine?
4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 465.36 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 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-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 155573021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).