1-[[4-(3-methylpiperazin-1-yl)pyrimidin-2-yl]oxymethyl]indazole

C17H20N6O — CID 163230746

IUPAC1-[[4-(3-methylpiperazin-1-yl)pyrimidin-2-yl]oxymethyl]indazole
SMILESCC1CN(c2ccnc(OCn3ncc4ccccc43)n2)CCN1
InChIInChI=1S/C17H20N6O/c1-13-11-22(9-8-18-13)16-6-7-19-17(21-16)24-12-23-15-5-3-2-4-14(15)10-20-23/h2-7,10,13,18H,8-9,11-12H2,1H3
InChIKeyHXGPQTOLEBATRZ-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.66
Rot. Bonds4

About 1-[[4-(3-methylpiperazin-1-yl)pyrimidin-2-yl]oxymethyl]indazole

1-[[4-(3-methylpiperazin-1-yl)pyrimidin-2-yl]oxymethyl]indazole (PubChem CID 163230746) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 1-[[4-(3-methylpiperazin-1-yl)pyrimidin-2-yl]oxymethyl]indazole.

Molecular Properties

Compound Name1-[[4-(3-methylpiperazin-1-yl)pyrimidin-2-yl]oxymethyl]indazole
PubChem CID163230746
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name1-[[4-(3-methylpiperazin-1-yl)pyrimidin-2-yl]oxymethyl]indazole
SMILESCC1CN(c2ccnc(OCn3ncc4ccccc43)n2)CCN1
InChIInChI=1S/C17H20N6O/c1-13-11-22(9-8-18-13)16-6-7-19-17(21-16)24-12-23-15-5-3-2-4-14(15)10-20-23/h2-7,10,13,18H,8-9,11-12H2,1H3
InChIKeyHXGPQTOLEBATRZ-UHFFFAOYSA-N
XLogP1.66
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-4-[(3R)-3-methylpiperazin-1-yl]pyrimidin-2-amine
CID 104976030
2-methyl-4-[(3S)-3-methylpiperazin-1-yl]pyrimidine
CID 94586892
1-[(3S)-3-methylpiperazin-1-yl]isoquinoline
CID 104977385
(3S)-1-(6-ethoxy-2-pyridinyl)-3-methylpiperazine
CID 104977568
2-(3-methylpiperazin-1-yl)-5-phenylpyrimidine
CID 116976426
1-(6-bromo-2-pyridinyl)-3-methylpiperazine;hydrochloride
CID 71639395
3-[(3S)-3-methylpiperazin-1-yl]pyridazine
CID 94453251
(3S)-3-methyl-1-(5-methyl-2-pyridinyl)piperazine
CID 94450647
(3S)-1-(5-chloro-2-pyridinyl)-3-methylpiperazine
CID 94450635
(3R)-1-[5-(2-methoxyethoxy)-6-methyl-2-pyridinyl]-3-methylpiperazine
CID 70274958
3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperazine
CID 62478925
2-methyl-6-(3-methylpiperazin-1-yl)pyridin-3-amine
CID 174591427

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3-methylpiperazin-1-yl)pyrimidin-2-yl]oxymethyl]indazole?
The IUPAC name of 1-[[4-(3-methylpiperazin-1-yl)pyrimidin-2-yl]oxymethyl]indazole (CID 163230746) is 1-[[4-(3-methylpiperazin-1-yl)pyrimidin-2-yl]oxymethyl]indazole.
What is the SMILES notation for 1-[[4-(3-methylpiperazin-1-yl)pyrimidin-2-yl]oxymethyl]indazole?
The canonical SMILES for 1-[[4-(3-methylpiperazin-1-yl)pyrimidin-2-yl]oxymethyl]indazole is CC1CN(c2ccnc(OCn3ncc4ccccc43)n2)CCN1.
What is the InChIKey of 1-[[4-(3-methylpiperazin-1-yl)pyrimidin-2-yl]oxymethyl]indazole?
The InChIKey is HXGPQTOLEBATRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-13-11-22(9-8-18-13)16-6-7-19-17(21-16)24-12-23-15-5-3-2-4-14(15)10-20-23/h2-7,10,13,18H,8-9,11-12H2,1H3.
What are the key properties of 1-[[4-(3-methylpiperazin-1-yl)pyrimidin-2-yl]oxymethyl]indazole?
1-[[4-(3-methylpiperazin-1-yl)pyrimidin-2-yl]oxymethyl]indazole has a molecular weight of 324.39 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3-methylpiperazin-1-yl)pyrimidin-2-yl]oxymethyl]indazole is sourced from PubChem (CID 163230746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).