[1-[3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol

C20H31N7O — CID 59438213

IUPAC[1-[3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol
SMILESCCn1cc(CN2CCN(c3nccnc3N3CCC(CO)CC3)CC2)cn1
InChIInChI=1S/C20H31N7O/c1-2-27-15-18(13-23-27)14-24-9-11-26(12-10-24)20-19(21-5-6-22-20)25-7-3-17(16-28)4-8-25/h5-6,13,15,17,28H,2-4,7-12,14,16H2,1H3
InChIKeySDGZGNCYDKLCIN-UHFFFAOYSA-N
MW385.52 g/mol
LogP1.22
Rot. Bonds6

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

[1-[3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol (PubChem CID 59438213) has the molecular formula C20H31N7O and a molecular weight of 385.52 g/mol. Its IUPAC name is [1-[3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol
PubChem CID59438213
Molecular FormulaC20H31N7O
Molecular Weight385.52 g/mol
Exact Mass385.26
IUPAC Name[1-[3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol
SMILESCCn1cc(CN2CCN(c3nccnc3N3CCC(CO)CC3)CC2)cn1
InChIInChI=1S/C20H31N7O/c1-2-27-15-18(13-23-27)14-24-9-11-26(12-10-24)20-19(21-5-6-22-20)25-7-3-17(16-28)4-8-25/h5-6,13,15,17,28H,2-4,7-12,14,16H2,1H3
InChIKeySDGZGNCYDKLCIN-UHFFFAOYSA-N
XLogP1.22
TPSA73.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 51.22
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-ethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol (CID 59438213) is [1-[3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol is CCn1cc(CN2CCN(c3nccnc3N3CCC(CO)CC3)CC2)cn1.
What is the InChIKey of [1-[3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol?
The InChIKey is SDGZGNCYDKLCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N7O/c1-2-27-15-18(13-23-27)14-24-9-11-26(12-10-24)20-19(21-5-6-22-20)25-7-3-17(16-28)4-8-25/h5-6,13,15,17,28H,2-4,7-12,14,16H2,1H3.
What are the key properties of [1-[3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol?
[1-[3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol has a molecular weight of 385.52 g/mol, XLogP of 1.22, 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-ethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 59438213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).