6-bromo-N-[[6-cyclopropyl-8-[4-(oxetan-3-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrimidin-4-amine

C22H26BrN7O — CID 165133238

IUPAC6-bromo-N-[[6-cyclopropyl-8-[4-(oxetan-3-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrimidin-4-amine
SMILESBrc1cc(NCc2cn3cc(C4CC4)cc(N4CCN(C5COC5)CC4)c3n2)ncn1
InChIInChI=1S/C22H26BrN7O/c23-20-8-21(26-14-25-20)24-9-17-11-30-10-16(15-1-2-15)7-19(22(30)27-17)29-5-3-28(4-6-29)18-12-31-13-18/h7-8,10-11,14-15,18H,1-6,9,12-13H2,(H,24,25,26)
InChIKeyDPSHCYNLJRKKRU-UHFFFAOYSA-N
MW484.40 g/mol
LogP2.90
Rot. Bonds6

About 6-bromo-N-[[6-cyclopropyl-8-[4-(oxetan-3-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrimidin-4-amine

6-bromo-N-[[6-cyclopropyl-8-[4-(oxetan-3-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrimidin-4-amine (PubChem CID 165133238) has the molecular formula C22H26BrN7O and a molecular weight of 484.40 g/mol. Its IUPAC name is 6-bromo-N-[[6-cyclopropyl-8-[4-(oxetan-3-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-N-[[6-cyclopropyl-8-[4-(oxetan-3-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrimidin-4-amine
PubChem CID165133238
Molecular FormulaC22H26BrN7O
Molecular Weight484.40 g/mol
Exact Mass483.14
IUPAC Name6-bromo-N-[[6-cyclopropyl-8-[4-(oxetan-3-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrimidin-4-amine
SMILESBrc1cc(NCc2cn3cc(C4CC4)cc(N4CCN(C5COC5)CC4)c3n2)ncn1
InChIInChI=1S/C22H26BrN7O/c23-20-8-21(26-14-25-20)24-9-17-11-30-10-16(15-1-2-15)7-19(22(30)27-17)29-5-3-28(4-6-29)18-12-31-13-18/h7-8,10-11,14-15,18H,1-6,9,12-13H2,(H,24,25,26)
InChIKeyDPSHCYNLJRKKRU-UHFFFAOYSA-N
XLogP2.90
TPSA70.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-bromo-N-[[6-cyclopropyl-8-[4-(oxetan-3-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrimidin-4-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 6-bromo-N-[[6-cyclopropyl-8-[4-(oxetan-3-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-bromo-N-[[6-cyclopropyl-8-[4-(oxetan-3-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrimidin-4-amine (CID 165133238) is 6-bromo-N-[[6-cyclopropyl-8-[4-(oxetan-3-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-N-[[6-cyclopropyl-8-[4-(oxetan-3-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-bromo-N-[[6-cyclopropyl-8-[4-(oxetan-3-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrimidin-4-amine is Brc1cc(NCc2cn3cc(C4CC4)cc(N4CCN(C5COC5)CC4)c3n2)ncn1.
What is the InChIKey of 6-bromo-N-[[6-cyclopropyl-8-[4-(oxetan-3-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrimidin-4-amine?
The InChIKey is DPSHCYNLJRKKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26BrN7O/c23-20-8-21(26-14-25-20)24-9-17-11-30-10-16(15-1-2-15)7-19(22(30)27-17)29-5-3-28(4-6-29)18-12-31-13-18/h7-8,10-11,14-15,18H,1-6,9,12-13H2,(H,24,25,26).
What are the key properties of 6-bromo-N-[[6-cyclopropyl-8-[4-(oxetan-3-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrimidin-4-amine?
6-bromo-N-[[6-cyclopropyl-8-[4-(oxetan-3-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrimidin-4-amine has a molecular weight of 484.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[[6-cyclopropyl-8-[4-(oxetan-3-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 165133238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).