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

C24H27BrN8 — CID 156725841

IUPAC4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[6-[[4-(dimethylamino)piperidin-1-yl]methyl]-3-pyridinyl]pyrimidin-2-amine
SMILESCN(C)C1CCN(Cc2ccc(Nc3nccc(-c4cnc5ccc(Br)cn45)n3)cn2)CC1
InChIInChI=1S/C24H27BrN8/c1-31(2)20-8-11-32(12-9-20)16-19-5-4-18(13-27-19)29-24-26-10-7-21(30-24)22-14-28-23-6-3-17(25)15-33(22)23/h3-7,10,13-15,20H,8-9,11-12,16H2,1-2H3,(H,26,29,30)
InChIKeyPLVQAHKXPRAIHY-UHFFFAOYSA-N
MW507.44 g/mol
LogP4.22
Rot. Bonds6

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

4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[6-[[4-(dimethylamino)piperidin-1-yl]methyl]-3-pyridinyl]pyrimidin-2-amine (PubChem CID 156725841) has the molecular formula C24H27BrN8 and a molecular weight of 507.44 g/mol. Its IUPAC name is 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[6-[[4-(dimethylamino)piperidin-1-yl]methyl]-3-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[6-[[4-(dimethylamino)piperidin-1-yl]methyl]-3-pyridinyl]pyrimidin-2-amine
PubChem CID156725841
Molecular FormulaC24H27BrN8
Molecular Weight507.44 g/mol
Exact Mass506.15
IUPAC Name4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[6-[[4-(dimethylamino)piperidin-1-yl]methyl]-3-pyridinyl]pyrimidin-2-amine
SMILESCN(C)C1CCN(Cc2ccc(Nc3nccc(-c4cnc5ccc(Br)cn45)n3)cn2)CC1
InChIInChI=1S/C24H27BrN8/c1-31(2)20-8-11-32(12-9-20)16-19-5-4-18(13-27-19)29-24-26-10-7-21(30-24)22-14-28-23-6-3-17(25)15-33(22)23/h3-7,10,13-15,20H,8-9,11-12,16H2,1-2H3,(H,26,29,30)
InChIKeyPLVQAHKXPRAIHY-UHFFFAOYSA-N
XLogP4.22
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[6-[[4-(dimethylamino)piperidin-1-yl]methyl]-3-pyridinyl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[6-[[4-(dimethylamino)piperidin-1-yl]methyl]-3-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[6-[[4-(dimethylamino)piperidin-1-yl]methyl]-3-pyridinyl]pyrimidin-2-amine (CID 156725841) is 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[6-[[4-(dimethylamino)piperidin-1-yl]methyl]-3-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[6-[[4-(dimethylamino)piperidin-1-yl]methyl]-3-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[6-[[4-(dimethylamino)piperidin-1-yl]methyl]-3-pyridinyl]pyrimidin-2-amine is CN(C)C1CCN(Cc2ccc(Nc3nccc(-c4cnc5ccc(Br)cn45)n3)cn2)CC1.
What is the InChIKey of 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[6-[[4-(dimethylamino)piperidin-1-yl]methyl]-3-pyridinyl]pyrimidin-2-amine?
The InChIKey is PLVQAHKXPRAIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrN8/c1-31(2)20-8-11-32(12-9-20)16-19-5-4-18(13-27-19)29-24-26-10-7-21(30-24)22-14-28-23-6-3-17(25)15-33(22)23/h3-7,10,13-15,20H,8-9,11-12,16H2,1-2H3,(H,26,29,30).
What are the key properties of 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[6-[[4-(dimethylamino)piperidin-1-yl]methyl]-3-pyridinyl]pyrimidin-2-amine?
4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-N-[6-[[4-(dimethylamino)piperidin-1-yl]methyl]-3-pyridinyl]pyrimidin-2-amine has a molecular weight of 507.44 g/mol, XLogP of 4.22, 6 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-[6-[[4-(dimethylamino)piperidin-1-yl]methyl]-3-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 156725841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).