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

C16H22BrN5O — CID 129021746

IUPAC5-bromo-1-methyl-3-[[5-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]amino]-2H-pyridin-2-ol
SMILESC[C@H]1CNCCN1c1ccc(NC2=CC(Br)=CN(C)C2O)nc1
InChIInChI=1S/C16H22BrN5O/c1-11-8-18-5-6-22(11)13-3-4-15(19-9-13)20-14-7-12(17)10-21(2)16(14)23/h3-4,7,9-11,16,18,23H,5-6,8H2,1-2H3,(H,19,20)/t11-,16?/m0/s1
InChIKeyFQHOQTFROHVAEU-CHPOKUKFSA-N
MW380.29 g/mol
LogP1.68
Rot. Bonds3

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

5-bromo-1-methyl-3-[[5-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]amino]-2H-pyridin-2-ol (PubChem CID 129021746) has the molecular formula C16H22BrN5O and a molecular weight of 380.29 g/mol. Its IUPAC name is 5-bromo-1-methyl-3-[[5-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]amino]-2H-pyridin-2-ol.

Molecular Properties

Compound Name5-bromo-1-methyl-3-[[5-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]amino]-2H-pyridin-2-ol
PubChem CID129021746
Molecular FormulaC16H22BrN5O
Molecular Weight380.29 g/mol
Exact Mass379.10
IUPAC Name5-bromo-1-methyl-3-[[5-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]amino]-2H-pyridin-2-ol
SMILESC[C@H]1CNCCN1c1ccc(NC2=CC(Br)=CN(C)C2O)nc1
InChIInChI=1S/C16H22BrN5O/c1-11-8-18-5-6-22(11)13-3-4-15(19-9-13)20-14-7-12(17)10-21(2)16(14)23/h3-4,7,9-11,16,18,23H,5-6,8H2,1-2H3,(H,19,20)/t11-,16?/m0/s1
InChIKeyFQHOQTFROHVAEU-CHPOKUKFSA-N
XLogP1.68
TPSA63.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-(5-bromo-1-methyl-2H-pyridin-3-yl)-5-[(2S)-2-methylpiperazin-1-yl]pyridin-2-amine
CID 170693340
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
5-bromo-3-[(5-fluoro-2-pyridinyl)amino]-1-methyl-2H-pyridin-2-ol
CID 67469089
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
(1R)-1-[2-[[5-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol
CID 134586414
N-methyl-5-[(2R)-2-methylpiperazin-1-yl]pyridine-2-carboxamide
CID 166021939
N-methyl-5-[(2R)-2-methylpiperazin-1-yl]pyridine-2-carboxamide;hydrochloride
CID 170561549
(2R)-2-methyl-1-(6-nitro-3-pyridinyl)piperazine
CID 94546157
(2S)-1-(4-bromo-3-methoxyphenyl)-2-methylpiperazine
CID 142683631
2-(2-methylpiperazin-1-yl)pyrimidin-5-ol
CID 67037782
(2S)-2-methyl-1-pyridin-4-ylpiperazine
CID 94546152
1-(4-bromo-3-chlorophenyl)-2-methylpiperazine
CID 107617353

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-3-[[5-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]amino]-2H-pyridin-2-ol?
The IUPAC name of 5-bromo-1-methyl-3-[[5-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]amino]-2H-pyridin-2-ol (CID 129021746) is 5-bromo-1-methyl-3-[[5-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]amino]-2H-pyridin-2-ol.
What is the SMILES notation for 5-bromo-1-methyl-3-[[5-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]amino]-2H-pyridin-2-ol?
The canonical SMILES for 5-bromo-1-methyl-3-[[5-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]amino]-2H-pyridin-2-ol is C[C@H]1CNCCN1c1ccc(NC2=CC(Br)=CN(C)C2O)nc1.
What is the InChIKey of 5-bromo-1-methyl-3-[[5-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]amino]-2H-pyridin-2-ol?
The InChIKey is FQHOQTFROHVAEU-CHPOKUKFSA-N. The full InChI is InChI=1S/C16H22BrN5O/c1-11-8-18-5-6-22(11)13-3-4-15(19-9-13)20-14-7-12(17)10-21(2)16(14)23/h3-4,7,9-11,16,18,23H,5-6,8H2,1-2H3,(H,19,20)/t11-,16?/m0/s1.
What are the key properties of 5-bromo-1-methyl-3-[[5-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]amino]-2H-pyridin-2-ol?
5-bromo-1-methyl-3-[[5-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]amino]-2H-pyridin-2-ol has a molecular weight of 380.29 g/mol, XLogP of 1.68, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-3-[[5-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]amino]-2H-pyridin-2-ol is sourced from PubChem (CID 129021746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).