2-[5-[(2R)-4-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol

C24H29FN6O — CID 59191552

IUPAC2-[5-[(2R)-4-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol
SMILESCc1c(-c2ccc(F)cc2)nnc(N2CCN(c3cnc(C(C)(C)O)cn3)[C@H](C)C2)c1C
InChIInChI=1S/C24H29FN6O/c1-15-14-30(10-11-31(15)21-13-26-20(12-27-21)24(4,5)32)23-17(3)16(2)22(28-29-23)18-6-8-19(25)9-7-18/h6-9,12-13,15,32H,10-11,14H2,1-5H3/t15-/m1/s1
InChIKeyLOCCROWNKPBTNX-OAHLLOKOSA-N
MW436.54 g/mol
LogP3.63
Rot. Bonds4

About 2-[5-[(2R)-4-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol

2-[5-[(2R)-4-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol (PubChem CID 59191552) has the molecular formula C24H29FN6O and a molecular weight of 436.54 g/mol. Its IUPAC name is 2-[5-[(2R)-4-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[(2R)-4-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol
PubChem CID59191552
Molecular FormulaC24H29FN6O
Molecular Weight436.54 g/mol
Exact Mass436.24
IUPAC Name2-[5-[(2R)-4-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol
SMILESCc1c(-c2ccc(F)cc2)nnc(N2CCN(c3cnc(C(C)(C)O)cn3)[C@H](C)C2)c1C
InChIInChI=1S/C24H29FN6O/c1-15-14-30(10-11-31(15)21-13-26-20(12-27-21)24(4,5)32)23-17(3)16(2)22(28-29-23)18-6-8-19(25)9-7-18/h6-9,12-13,15,32H,10-11,14H2,1-5H3/t15-/m1/s1
InChIKeyLOCCROWNKPBTNX-OAHLLOKOSA-N
XLogP3.63
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-[(2R)-4-[4,5-dimethyl-6-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol
CID 59191657
2-[5-[(2R)-4-[6-[4-(fluoromethyl)phenyl]-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol
CID 70929015
2-[5-[4-[6-[difluoro(phenyl)methyl]-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol
CID 72539347
2-[5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-ethylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol
CID 45100670
4,5-dimethyl-3-[(3R)-3-methyl-4-[5-(4-propyl-1,3-dioxetan-2-yl)-4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-pyridin-3-ylpyridazine
CID 70918869
1-[4-[6-(4-fluorophenyl)pyridazin-3-yl]-3-methylpiperazin-1-yl]-2-methylpropan-2-ol
CID 133486579
1-[5-[4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl]ethanol
CID 72539382
[5-[4-[4,5-dimethyl-6-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]-2-methylpiperazin-1-yl]-2,3-dihydropyrazin-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 91400789
5-[(2R)-4-[6-(cyclohexa-1,5-dien-1-ylmethyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylic acid
CID 143926374
1-[5-[(2R)-4-[6-(cyclohexa-1,5-dien-1-ylmethyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]ethanone
CID 143926362
methyl 5-[(2R)-4-[4,5-dimethyl-6-(pyridin-4-ylmethyl)pyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylate
CID 59191557
methyl 5-[4-[6-[(R)-hydroxy(phenyl)methyl]-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazine-2-carboxylate
CID 67179326

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2R)-4-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol?
The IUPAC name of 2-[5-[(2R)-4-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol (CID 59191552) is 2-[5-[(2R)-4-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[5-[(2R)-4-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol?
The canonical SMILES for 2-[5-[(2R)-4-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol is Cc1c(-c2ccc(F)cc2)nnc(N2CCN(c3cnc(C(C)(C)O)cn3)[C@H](C)C2)c1C.
What is the InChIKey of 2-[5-[(2R)-4-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol?
The InChIKey is LOCCROWNKPBTNX-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H29FN6O/c1-15-14-30(10-11-31(15)21-13-26-20(12-27-21)24(4,5)32)23-17(3)16(2)22(28-29-23)18-6-8-19(25)9-7-18/h6-9,12-13,15,32H,10-11,14H2,1-5H3/t15-/m1/s1.
What are the key properties of 2-[5-[(2R)-4-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol?
2-[5-[(2R)-4-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol has a molecular weight of 436.54 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2R)-4-[6-(4-fluorophenyl)-4,5-dimethylpyridazin-3-yl]-2-methylpiperazin-1-yl]pyrazin-2-yl]propan-2-ol is sourced from PubChem (CID 59191552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).