[1-[3-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol

C21H33N7O — CID 59438227

IUPAC[1-[3-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol
SMILESCCn1ncc(CN2CCN(c3nccnc3N3CCC(CO)CC3)CC2)c1C
InChIInChI=1S/C21H33N7O/c1-3-28-17(2)19(14-24-28)15-25-10-12-27(13-11-25)21-20(22-6-7-23-21)26-8-4-18(16-29)5-9-26/h6-7,14,18,29H,3-5,8-13,15-16H2,1-2H3
InChIKeyFRAOQAGGLRWFBZ-UHFFFAOYSA-N
MW399.54 g/mol
LogP1.53
Rot. Bonds6

About [1-[3-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol

[1-[3-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol (PubChem CID 59438227) has the molecular formula C21H33N7O and a molecular weight of 399.54 g/mol. Its IUPAC name is [1-[3-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[3-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol
PubChem CID59438227
Molecular FormulaC21H33N7O
Molecular Weight399.54 g/mol
Exact Mass399.27
IUPAC Name[1-[3-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol
SMILESCCn1ncc(CN2CCN(c3nccnc3N3CCC(CO)CC3)CC2)c1C
InChIInChI=1S/C21H33N7O/c1-3-28-17(2)19(14-24-28)15-25-10-12-27(13-11-25)21-20(22-6-7-23-21)26-8-4-18(16-29)5-9-26/h6-7,14,18,29H,3-5,8-13,15-16H2,1-2H3
InChIKeyFRAOQAGGLRWFBZ-UHFFFAOYSA-N
XLogP1.53
TPSA73.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-[3-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[3-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol (CID 59438227) is [1-[3-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[3-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[3-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol is CCn1ncc(CN2CCN(c3nccnc3N3CCC(CO)CC3)CC2)c1C.
What is the InChIKey of [1-[3-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol?
The InChIKey is FRAOQAGGLRWFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N7O/c1-3-28-17(2)19(14-24-28)15-25-10-12-27(13-11-25)21-20(22-6-7-23-21)26-8-4-18(16-29)5-9-26/h6-7,14,18,29H,3-5,8-13,15-16H2,1-2H3.
What are the key properties of [1-[3-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol?
[1-[3-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol has a molecular weight of 399.54 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 59438227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).