1-[3-[4-[(5-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-ol;hydrochloride

C24H32ClN7O — CID 66601891

IUPAC1-[3-[4-[(5-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-ol;hydrochloride
SMILESCc1c(CN2CCN(c3nccnc3N3CCC(O)CC3)CC2)cnn1-c1ccccc1.Cl
InChIInChI=1S/C24H31N7O.ClH/c1-19-20(17-27-31(19)21-5-3-2-4-6-21)18-28-13-15-30(16-14-28)24-23(25-9-10-26-24)29-11-7-22(32)8-12-29;/h2-6,9-10,17,22,32H,7-8,11-16,18H2,1H3;1H
InChIKeyYDRXZQJRVDFKGI-UHFFFAOYSA-N
MW470.02 g/mol
LogP2.68
Rot. Bonds5

About 1-[3-[4-[(5-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-ol;hydrochloride

1-[3-[4-[(5-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-ol;hydrochloride (PubChem CID 66601891) has the molecular formula C24H32ClN7O and a molecular weight of 470.02 g/mol. Its IUPAC name is 1-[3-[4-[(5-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-ol;hydrochloride.

Molecular Properties

Compound Name1-[3-[4-[(5-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-ol;hydrochloride
PubChem CID66601891
Molecular FormulaC24H32ClN7O
Molecular Weight470.02 g/mol
Exact Mass469.24
IUPAC Name1-[3-[4-[(5-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-ol;hydrochloride
SMILESCc1c(CN2CCN(c3nccnc3N3CCC(O)CC3)CC2)cnn1-c1ccccc1.Cl
InChIInChI=1S/C24H31N7O.ClH/c1-19-20(17-27-31(19)21-5-3-2-4-6-21)18-28-13-15-30(16-14-28)24-23(25-9-10-26-24)29-11-7-22(32)8-12-29;/h2-6,9-10,17,22,32H,7-8,11-16,18H2,1H3;1H
InChIKeyYDRXZQJRVDFKGI-UHFFFAOYSA-N
XLogP2.68
TPSA73.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.02
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[(5-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-ol;hydrochloride?
The IUPAC name of 1-[3-[4-[(5-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-ol;hydrochloride (CID 66601891) is 1-[3-[4-[(5-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-ol;hydrochloride.
What is the SMILES notation for 1-[3-[4-[(5-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-ol;hydrochloride?
The canonical SMILES for 1-[3-[4-[(5-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-ol;hydrochloride is Cc1c(CN2CCN(c3nccnc3N3CCC(O)CC3)CC2)cnn1-c1ccccc1.Cl.
What is the InChIKey of 1-[3-[4-[(5-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-ol;hydrochloride?
The InChIKey is YDRXZQJRVDFKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O.ClH/c1-19-20(17-27-31(19)21-5-3-2-4-6-21)18-28-13-15-30(16-14-28)24-23(25-9-10-26-24)29-11-7-22(32)8-12-29;/h2-6,9-10,17,22,32H,7-8,11-16,18H2,1H3;1H.
What are the key properties of 1-[3-[4-[(5-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-ol;hydrochloride?
1-[3-[4-[(5-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-ol;hydrochloride has a molecular weight of 470.02 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[(5-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-ol;hydrochloride is sourced from PubChem (CID 66601891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).