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

C25H34N8O — CID 59438247

IUPAC[1-[3-[4-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol
SMILESCc1nn(-c2ccccn2)c(C)c1CN1CCN(c2nccnc2N2CCC(CO)CC2)CC1
InChIInChI=1S/C25H34N8O/c1-19-22(20(2)33(29-19)23-5-3-4-8-26-23)17-30-13-15-32(16-14-30)25-24(27-9-10-28-25)31-11-6-21(18-34)7-12-31/h3-5,8-10,21,34H,6-7,11-18H2,1-2H3
InChIKeyAMDVJHLYOIYPDG-UHFFFAOYSA-N
MW462.60 g/mol
LogP2.21
Rot. Bonds6

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

[1-[3-[4-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol (PubChem CID 59438247) has the molecular formula C25H34N8O and a molecular weight of 462.60 g/mol. Its IUPAC name is [1-[3-[4-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[3-[4-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol
PubChem CID59438247
Molecular FormulaC25H34N8O
Molecular Weight462.60 g/mol
Exact Mass462.29
IUPAC Name[1-[3-[4-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol
SMILESCc1nn(-c2ccccn2)c(C)c1CN1CCN(c2nccnc2N2CCC(CO)CC2)CC1
InChIInChI=1S/C25H34N8O/c1-19-22(20(2)33(29-19)23-5-3-4-8-26-23)17-30-13-15-32(16-14-30)25-24(27-9-10-28-25)31-11-6-21(18-34)7-12-31/h3-5,8-10,21,34H,6-7,11-18H2,1-2H3
InChIKeyAMDVJHLYOIYPDG-UHFFFAOYSA-N
XLogP2.21
TPSA86.44 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [1-[3-[4-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[3-[4-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[3-[4-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol (CID 59438247) is [1-[3-[4-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[3-[4-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[3-[4-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol is Cc1nn(-c2ccccn2)c(C)c1CN1CCN(c2nccnc2N2CCC(CO)CC2)CC1.
What is the InChIKey of [1-[3-[4-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol?
The InChIKey is AMDVJHLYOIYPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N8O/c1-19-22(20(2)33(29-19)23-5-3-4-8-26-23)17-30-13-15-32(16-14-30)25-24(27-9-10-28-25)31-11-6-21(18-34)7-12-31/h3-5,8-10,21,34H,6-7,11-18H2,1-2H3.
What are the key properties of [1-[3-[4-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol?
[1-[3-[4-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol has a molecular weight of 462.60 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[4-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 59438247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).