5-bromo-1-methyl-3-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]-2H-pyridin-2-ol

C19H26BrN5O2 — CID 129063563

IUPAC5-bromo-1-methyl-3-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]-2H-pyridin-2-ol
SMILESC[C@H]1CN(C2COC2)CCN1c1ccc(NC2=CC(Br)=CN(C)C2O)nc1
InChIInChI=1S/C19H26BrN5O2/c1-13-9-24(16-11-27-12-16)5-6-25(13)15-3-4-18(21-8-15)22-17-7-14(20)10-23(2)19(17)26/h3-4,7-8,10,13,16,19,26H,5-6,9,11-12H2,1-2H3,(H,21,22)/t13-,19?/m0/s1
InChIKeyBTXMZELPAKAHGC-YTJLLHSVSA-N
MW436.35 g/mol
LogP1.79
Rot. Bonds4

About 5-bromo-1-methyl-3-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]-2H-pyridin-2-ol

5-bromo-1-methyl-3-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]-2H-pyridin-2-ol (PubChem CID 129063563) has the molecular formula C19H26BrN5O2 and a molecular weight of 436.35 g/mol. Its IUPAC name is 5-bromo-1-methyl-3-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]-2H-pyridin-2-ol.

Molecular Properties

Compound Name5-bromo-1-methyl-3-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]-2H-pyridin-2-ol
PubChem CID129063563
Molecular FormulaC19H26BrN5O2
Molecular Weight436.35 g/mol
Exact Mass435.13
IUPAC Name5-bromo-1-methyl-3-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]-2H-pyridin-2-ol
SMILESC[C@H]1CN(C2COC2)CCN1c1ccc(NC2=CC(Br)=CN(C)C2O)nc1
InChIInChI=1S/C19H26BrN5O2/c1-13-9-24(16-11-27-12-16)5-6-25(13)15-3-4-18(21-8-15)22-17-7-14(20)10-23(2)19(17)26/h3-4,7-8,10,13,16,19,26H,5-6,9,11-12H2,1-2H3,(H,21,22)/t13-,19?/m0/s1
InChIKeyBTXMZELPAKAHGC-YTJLLHSVSA-N
XLogP1.79
TPSA64.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-bromo-1-methyl-3-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]-2H-pyridin-2-ol with MolForge

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Launch Full Analysis

Related Compounds

5-bromo-1-methyl-3-[[5-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]amino]-2H-pyridin-2-ol
CID 129021746
5-bromo-1,6-dimethyl-3-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyridin-2-one
CID 164749391
5-bromo-1-methyl-3-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyridin-2-one;sulfane
CID 165088577
tert-butyl (2R,5S)-4-[6-[(5-bromo-2-hydroxy-1-methyl-2H-pyridin-3-yl)amino]-3-pyridinyl]-2,5-dimethylpiperazine-1-carboxylate
CID 138649848
1,5-dimethyl-3-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyridin-2-one
CID 157183243
N-(5-bromo-1-methyl-2H-pyridin-3-yl)-5-[4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-amine
CID 141373821
5-bromo-3-[(5-fluoro-2-pyridinyl)amino]-1-methyl-2H-pyridin-2-ol
CID 67469089
1-methyl-3-[[5-[(2R)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
CID 86683919
4-fluoro-2-[1-methyl-5-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde
CID 142720005
1-(3-bromophenyl)-2-methyl-4-(oxetan-3-yl)piperazine
CID 170087545
N-(5-bromo-1-methyl-2H-pyridin-3-yl)-5-[(2S)-2-methylpiperazin-1-yl]pyridin-2-amine
CID 170693340
[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-4-[1-methyl-5-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]-6-oxopyridazin-3-yl]-3-pyridinyl]methyl acetate;6-chloro-2-methyl-4-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyridazin-3-one;methane
CID 159897791

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-3-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]-2H-pyridin-2-ol?
The IUPAC name of 5-bromo-1-methyl-3-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]-2H-pyridin-2-ol (CID 129063563) is 5-bromo-1-methyl-3-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]-2H-pyridin-2-ol.
What is the SMILES notation for 5-bromo-1-methyl-3-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]-2H-pyridin-2-ol?
The canonical SMILES for 5-bromo-1-methyl-3-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]-2H-pyridin-2-ol is C[C@H]1CN(C2COC2)CCN1c1ccc(NC2=CC(Br)=CN(C)C2O)nc1.
What is the InChIKey of 5-bromo-1-methyl-3-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]-2H-pyridin-2-ol?
The InChIKey is BTXMZELPAKAHGC-YTJLLHSVSA-N. The full InChI is InChI=1S/C19H26BrN5O2/c1-13-9-24(16-11-27-12-16)5-6-25(13)15-3-4-18(21-8-15)22-17-7-14(20)10-23(2)19(17)26/h3-4,7-8,10,13,16,19,26H,5-6,9,11-12H2,1-2H3,(H,21,22)/t13-,19?/m0/s1.
What are the key properties of 5-bromo-1-methyl-3-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]-2H-pyridin-2-ol?
5-bromo-1-methyl-3-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]-2H-pyridin-2-ol has a molecular weight of 436.35 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-3-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]-2H-pyridin-2-ol is sourced from PubChem (CID 129063563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).