2-[5-[4-(1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl)piperazin-1-yl]pyrazin-2-yl]propan-2-ol

C25H30N6O — CID 44621079

IUPAC2-[5-[4-(1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl)piperazin-1-yl]pyrazin-2-yl]propan-2-ol
SMILESCC(C)(O)c1cnc(N2CCN(c3nnc(Cc4ccccc4)c4c3CCC4)CC2)cn1
InChIInChI=1S/C25H30N6O/c1-25(2,32)22-16-27-23(17-26-22)30-11-13-31(14-12-30)24-20-10-6-9-19(20)21(28-29-24)15-18-7-4-3-5-8-18/h3-5,7-8,16-17,32H,6,9-15H2,1-2H3
InChIKeyWGIYTWPOLQQZOV-UHFFFAOYSA-N
MW430.56 g/mol
LogP2.90
Rot. Bonds5

About 2-[5-[4-(1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl)piperazin-1-yl]pyrazin-2-yl]propan-2-ol

2-[5-[4-(1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl)piperazin-1-yl]pyrazin-2-yl]propan-2-ol (PubChem CID 44621079) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is 2-[5-[4-(1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl)piperazin-1-yl]pyrazin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[4-(1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl)piperazin-1-yl]pyrazin-2-yl]propan-2-ol
PubChem CID44621079
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC Name2-[5-[4-(1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl)piperazin-1-yl]pyrazin-2-yl]propan-2-ol
SMILESCC(C)(O)c1cnc(N2CCN(c3nnc(Cc4ccccc4)c4c3CCC4)CC2)cn1
InChIInChI=1S/C25H30N6O/c1-25(2,32)22-16-27-23(17-26-22)30-11-13-31(14-12-30)24-20-10-6-9-19(20)21(28-29-24)15-18-7-4-3-5-8-18/h3-5,7-8,16-17,32H,6,9-15H2,1-2H3
InChIKeyWGIYTWPOLQQZOV-UHFFFAOYSA-N
XLogP2.90
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl)piperazin-1-yl]pyrazin-2-yl]propan-2-ol?
The IUPAC name of 2-[5-[4-(1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl)piperazin-1-yl]pyrazin-2-yl]propan-2-ol (CID 44621079) is 2-[5-[4-(1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl)piperazin-1-yl]pyrazin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[5-[4-(1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl)piperazin-1-yl]pyrazin-2-yl]propan-2-ol?
The canonical SMILES for 2-[5-[4-(1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl)piperazin-1-yl]pyrazin-2-yl]propan-2-ol is CC(C)(O)c1cnc(N2CCN(c3nnc(Cc4ccccc4)c4c3CCC4)CC2)cn1.
What is the InChIKey of 2-[5-[4-(1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl)piperazin-1-yl]pyrazin-2-yl]propan-2-ol?
The InChIKey is WGIYTWPOLQQZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c1-25(2,32)22-16-27-23(17-26-22)30-11-13-31(14-12-30)24-20-10-6-9-19(20)21(28-29-24)15-18-7-4-3-5-8-18/h3-5,7-8,16-17,32H,6,9-15H2,1-2H3.
What are the key properties of 2-[5-[4-(1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl)piperazin-1-yl]pyrazin-2-yl]propan-2-ol?
2-[5-[4-(1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl)piperazin-1-yl]pyrazin-2-yl]propan-2-ol has a molecular weight of 430.56 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl)piperazin-1-yl]pyrazin-2-yl]propan-2-ol is sourced from PubChem (CID 44621079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).