2-[5-[(2R)-4-[6-benzyl-5-(hydroxymethyl)-4-methylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol

C25H32N6O2 — CID 59191658

IUPAC2-[5-[(2R)-4-[6-benzyl-5-(hydroxymethyl)-4-methylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol
SMILESCc1c(N2CCN(c3cnc(C(C)(C)O)cn3)[C@H](C)C2)nnc(Cc2ccccc2)c1CO
InChIInChI=1S/C25H32N6O2/c1-17-15-30(10-11-31(17)23-14-26-22(13-27-23)25(3,4)33)24-18(2)20(16-32)21(28-29-24)12-19-8-6-5-7-9-19/h5-9,13-14,17,32-33H,10-12,15-16H2,1-4H3/t17-/m1/s1
InChIKeyMRGOROJMQXXDLJ-QGZVFWFLSA-N
MW448.57 g/mol
LogP2.60
Rot. Bonds6

About 2-[5-[(2R)-4-[6-benzyl-5-(hydroxymethyl)-4-methylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol

2-[5-[(2R)-4-[6-benzyl-5-(hydroxymethyl)-4-methylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol (PubChem CID 59191658) has the molecular formula C25H32N6O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 2-[5-[(2R)-4-[6-benzyl-5-(hydroxymethyl)-4-methylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[(2R)-4-[6-benzyl-5-(hydroxymethyl)-4-methylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol
PubChem CID59191658
Molecular FormulaC25H32N6O2
Molecular Weight448.57 g/mol
Exact Mass448.26
IUPAC Name2-[5-[(2R)-4-[6-benzyl-5-(hydroxymethyl)-4-methylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol
SMILESCc1c(N2CCN(c3cnc(C(C)(C)O)cn3)[C@H](C)C2)nnc(Cc2ccccc2)c1CO
InChIInChI=1S/C25H32N6O2/c1-17-15-30(10-11-31(17)23-14-26-22(13-27-23)25(3,4)33)24-18(2)20(16-32)21(28-29-24)12-19-8-6-5-7-9-19/h5-9,13-14,17,32-33H,10-12,15-16H2,1-4H3/t17-/m1/s1
InChIKeyMRGOROJMQXXDLJ-QGZVFWFLSA-N
XLogP2.60
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2R)-4-[6-benzyl-5-(hydroxymethyl)-4-methylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol?
The IUPAC name of 2-[5-[(2R)-4-[6-benzyl-5-(hydroxymethyl)-4-methylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol (CID 59191658) is 2-[5-[(2R)-4-[6-benzyl-5-(hydroxymethyl)-4-methylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[5-[(2R)-4-[6-benzyl-5-(hydroxymethyl)-4-methylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol?
The canonical SMILES for 2-[5-[(2R)-4-[6-benzyl-5-(hydroxymethyl)-4-methylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol is Cc1c(N2CCN(c3cnc(C(C)(C)O)cn3)[C@H](C)C2)nnc(Cc2ccccc2)c1CO.
What is the InChIKey of 2-[5-[(2R)-4-[6-benzyl-5-(hydroxymethyl)-4-methylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol?
The InChIKey is MRGOROJMQXXDLJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H32N6O2/c1-17-15-30(10-11-31(17)23-14-26-22(13-27-23)25(3,4)33)24-18(2)20(16-32)21(28-29-24)12-19-8-6-5-7-9-19/h5-9,13-14,17,32-33H,10-12,15-16H2,1-4H3/t17-/m1/s1.
What are the key properties of 2-[5-[(2R)-4-[6-benzyl-5-(hydroxymethyl)-4-methylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol?
2-[5-[(2R)-4-[6-benzyl-5-(hydroxymethyl)-4-methylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol has a molecular weight of 448.57 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2R)-4-[6-benzyl-5-(hydroxymethyl)-4-methylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol is sourced from PubChem (CID 59191658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).