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

C20H31N7O — CID 59438224

IUPAC[1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol
SMILESCc1c(CN2CCN(c3nccnc3N3CCC(CO)CC3)CC2)cnn1C
InChIInChI=1S/C20H31N7O/c1-16-18(13-23-24(16)2)14-25-9-11-27(12-10-25)20-19(21-5-6-22-20)26-7-3-17(15-28)4-8-26/h5-6,13,17,28H,3-4,7-12,14-15H2,1-2H3
InChIKeyPRUPNNQYUNWRAM-UHFFFAOYSA-N
MW385.52 g/mol
LogP1.05
Rot. Bonds5

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

[1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol (PubChem CID 59438224) has the molecular formula C20H31N7O and a molecular weight of 385.52 g/mol. Its IUPAC name is [1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol
PubChem CID59438224
Molecular FormulaC20H31N7O
Molecular Weight385.52 g/mol
Exact Mass385.26
IUPAC Name[1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol
SMILESCc1c(CN2CCN(c3nccnc3N3CCC(CO)CC3)CC2)cnn1C
InChIInChI=1S/C20H31N7O/c1-16-18(13-23-24(16)2)14-25-9-11-27(12-10-25)20-19(21-5-6-22-20)26-7-3-17(15-28)4-8-26/h5-6,13,17,28H,3-4,7-12,14-15H2,1-2H3
InChIKeyPRUPNNQYUNWRAM-UHFFFAOYSA-N
XLogP1.05
TPSA73.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol (CID 59438224) is [1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol is Cc1c(CN2CCN(c3nccnc3N3CCC(CO)CC3)CC2)cnn1C.
What is the InChIKey of [1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol?
The InChIKey is PRUPNNQYUNWRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N7O/c1-16-18(13-23-24(16)2)14-25-9-11-27(12-10-25)20-19(21-5-6-22-20)26-7-3-17(15-28)4-8-26/h5-6,13,17,28H,3-4,7-12,14-15H2,1-2H3.
What are the key properties of [1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol?
[1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol has a molecular weight of 385.52 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 59438224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).