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

C26H32N6O — CID 45107174

IUPAC2-[5-[(2R)-4-(1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol
SMILESC[C@@H]1CN(c2nnc(Cc3ccccc3)c3c2CCC3)CCN1c1cnc(C(C)(C)O)cn1
InChIInChI=1S/C26H32N6O/c1-18-17-31(12-13-32(18)24-16-27-23(15-28-24)26(2,3)33)25-21-11-7-10-20(21)22(29-30-25)14-19-8-5-4-6-9-19/h4-6,8-9,15-16,18,33H,7,10-14,17H2,1-3H3/t18-/m1/s1
InChIKeyPOLHUFLXBOGSEB-GOSISDBHSA-N
MW444.58 g/mol
LogP3.29
Rot. Bonds5

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

2-[5-[(2R)-4-(1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol (PubChem CID 45107174) has the molecular formula C26H32N6O and a molecular weight of 444.58 g/mol. Its IUPAC name is 2-[5-[(2R)-4-(1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[(2R)-4-(1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol
PubChem CID45107174
Molecular FormulaC26H32N6O
Molecular Weight444.58 g/mol
Exact Mass444.26
IUPAC Name2-[5-[(2R)-4-(1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol
SMILESC[C@@H]1CN(c2nnc(Cc3ccccc3)c3c2CCC3)CCN1c1cnc(C(C)(C)O)cn1
InChIInChI=1S/C26H32N6O/c1-18-17-31(12-13-32(18)24-16-27-23(15-28-24)26(2,3)33)25-21-11-7-10-20(21)22(29-30-25)14-19-8-5-4-6-9-19/h4-6,8-9,15-16,18,33H,7,10-14,17H2,1-3H3/t18-/m1/s1
InChIKeyPOLHUFLXBOGSEB-GOSISDBHSA-N
XLogP3.29
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[5-[(2R)-4-(1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol with MolForge

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Related Compounds

Nvp-leq-506
CID 45100669
2-(7-(4-Fluoro-3-(pyridin-3-yl)phenyl)imidazo[1,2-b][1,2,4]triazin-3-yl)propan-2-ol
CID 10154823
2-(7-(4-Fluoro-3-(pyridin-4-yl)phenyl)imidazo[1,2-b][1,2,4]triazin-3-yl)propan-2-ol
CID 10154824
2-(7-(3-(3,5-Difluoropyridin-2-yl)-4-fluorophenyl)imidazo[1,2-b][1,2,4]triazin-3-yl)propan-2-ol
CID 10271398
2-(7-(4-Fluoro-3-(5-fluoropyridin-2-yl)phenyl)imidazo[1,2-b][1,2,4]triazin-3-yl)propan-2-ol
CID 9969198
2-(7-(4-Fluoro-3-(3-fluoropyridin-2-yl)phenyl)imidazo[1,2-b][1,2,4]triazin-3-yl)propan-2-ol
CID 10133554
2-[5-[4-(6-Benzyl-4,5-dimethylpyridazin-3-yl)piperazin-1-yl]pyrazin-2-yl]propan-2-ol
CID 44621034
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
2-[5-[(2R)-4-[4,5-dimethyl-6-(pyridin-2-ylmethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol
CID 45100666
2-[5-[(2S)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol
CID 45100667
2-[5-[(2R)-4-[4,5-dimethyl-6-(pyridin-4-ylmethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol
CID 45100668
2-[5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-ethylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol
CID 45100670

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2R)-4-(1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol?
The IUPAC name of 2-[5-[(2R)-4-(1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol (CID 45107174) is 2-[5-[(2R)-4-(1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[5-[(2R)-4-(1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol?
The canonical SMILES for 2-[5-[(2R)-4-(1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol is C[C@@H]1CN(c2nnc(Cc3ccccc3)c3c2CCC3)CCN1c1cnc(C(C)(C)O)cn1.
What is the InChIKey of 2-[5-[(2R)-4-(1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol?
The InChIKey is POLHUFLXBOGSEB-GOSISDBHSA-N. The full InChI is InChI=1S/C26H32N6O/c1-18-17-31(12-13-32(18)24-16-27-23(15-28-24)26(2,3)33)25-21-11-7-10-20(21)22(29-30-25)14-19-8-5-4-6-9-19/h4-6,8-9,15-16,18,33H,7,10-14,17H2,1-3H3/t18-/m1/s1.
What are the key properties of 2-[5-[(2R)-4-(1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol?
2-[5-[(2R)-4-(1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol has a molecular weight of 444.58 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2R)-4-(1-benzyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol is sourced from PubChem (CID 45107174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).