3-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-6-piperidin-1-ylpyridazine

C17H22BrN7 — CID 165432773

IUPAC3-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-6-piperidin-1-ylpyridazine
SMILESBrc1cnc(N2CCN(c3ccc(N4CCCCC4)nn3)CC2)nc1
InChIInChI=1S/C17H22BrN7/c18-14-12-19-17(20-13-14)25-10-8-24(9-11-25)16-5-4-15(21-22-16)23-6-2-1-3-7-23/h4-5,12-13H,1-3,6-11H2
InChIKeyVSRIEGFBNKDLET-UHFFFAOYSA-N
MW404.32 g/mol
LogP2.35
Rot. Bonds3

About 3-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-6-piperidin-1-ylpyridazine

3-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-6-piperidin-1-ylpyridazine (PubChem CID 165432773) has the molecular formula C17H22BrN7 and a molecular weight of 404.32 g/mol. Its IUPAC name is 3-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-6-piperidin-1-ylpyridazine.

Molecular Properties

Compound Name3-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-6-piperidin-1-ylpyridazine
PubChem CID165432773
Molecular FormulaC17H22BrN7
Molecular Weight404.32 g/mol
Exact Mass403.11
IUPAC Name3-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-6-piperidin-1-ylpyridazine
SMILESBrc1cnc(N2CCN(c3ccc(N4CCCCC4)nn3)CC2)nc1
InChIInChI=1S/C17H22BrN7/c18-14-12-19-17(20-13-14)25-10-8-24(9-11-25)16-5-4-15(21-22-16)23-6-2-1-3-7-23/h4-5,12-13H,1-3,6-11H2
InChIKeyVSRIEGFBNKDLET-UHFFFAOYSA-N
XLogP2.35
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.32
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(5-bromo-2-pyridinyl)azocane
CID 55137358
5-bromo-2-piperidin-1-ylpyridine;hydrochloride
CID 53217409
3-piperidin-1-yl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyridazine
CID 171700804
3-(azetidin-1-yl)-6-bromopyridazine
CID 123426042
[4-(5-bromopyrimidin-2-yl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 133499067
3-piperidin-1-yl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 165433334
1-(5-bromopyrimidin-2-yl)-4-(cyclobutylmethyl)-1,4-diazepane
CID 122154431
1-(5-bromo-2-pyridinyl)-4-methyl-1,4-diazepane
CID 59292213
3-[4-(5-bromopyrimidin-2-yl)-1,4-diazepan-1-yl]-1,2-benzothiazole 1,1-dioxide
CID 154828902
4-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-6-tert-butylpyrimidine
CID 139027092
2-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-methylpropan-1-amine
CID 63873972
5-bromo-2-[4-[(5-bromo-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine
CID 133302563

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-6-piperidin-1-ylpyridazine?
The IUPAC name of 3-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-6-piperidin-1-ylpyridazine (CID 165432773) is 3-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-6-piperidin-1-ylpyridazine.
What is the SMILES notation for 3-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-6-piperidin-1-ylpyridazine?
The canonical SMILES for 3-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-6-piperidin-1-ylpyridazine is Brc1cnc(N2CCN(c3ccc(N4CCCCC4)nn3)CC2)nc1.
What is the InChIKey of 3-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-6-piperidin-1-ylpyridazine?
The InChIKey is VSRIEGFBNKDLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN7/c18-14-12-19-17(20-13-14)25-10-8-24(9-11-25)16-5-4-15(21-22-16)23-6-2-1-3-7-23/h4-5,12-13H,1-3,6-11H2.
What are the key properties of 3-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-6-piperidin-1-ylpyridazine?
3-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-6-piperidin-1-ylpyridazine has a molecular weight of 404.32 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-6-piperidin-1-ylpyridazine is sourced from PubChem (CID 165432773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).