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

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Related Compounds

2-[[6-cyclopropyl-8-[4-(oxetan-3-yl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione
CID 165132782
2-bromo-N-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]pyridin-4-amine
CID 165132137
4-N-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrimidine-2,4-diamine
CID 165132606
2-bromo-N-[[6-cyclopropyl-8-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyridin-4-amine
CID 165132464
4-[2-[[(2-bromo-4-pyridinyl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]piperazine-1-carboxylic acid
CID 175507913
1-[2-[[(6-chloropyrimidin-4-yl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidin-2-one
CID 165131478
trans-(1S,2S)-N-[6-[[8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 165132160
4-[2-[[(2-bromo-4-pyridinyl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-tert-butylpiperazine-1-carboxylic acid
CID 175507728
trans-(1R,2R)-2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(4-hydroxypiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide
CID 175616674
(1S)-2-(3-chlorophenyl)-N-[6-[[6-cyclopropyl-8-(4-hydroxypiperidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]cyclopropane-1-carboxamide
CID 165132862
1-[2-[[(2-bromo-4-pyridinyl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
CID 165131728
cis-(1R,2R)-N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]-2-fluorocyclopropane-1-carboxamide
CID 175616964

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).