4-(3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-5H-pyridazino[4,5-b]indole

C26H27N7O — CID 15716991

IUPAC4-(3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-5H-pyridazino[4,5-b]indole
SMILESCOc1ccccc1N1CCN(c2nnc(-n3nc(C)cc3C)c3[nH]c4ccccc4c23)CC1
InChIInChI=1S/C26H27N7O/c1-17-16-18(2)33(30-17)26-24-23(19-8-4-5-9-20(19)27-24)25(28-29-26)32-14-12-31(13-15-32)21-10-6-7-11-22(21)34-3/h4-11,16,27H,12-15H2,1-3H3
InChIKeyAOOOKEUJBKRFHK-UHFFFAOYSA-N
MW453.55 g/mol
LogP4.25
Rot. Bonds4

About 4-(3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-5H-pyridazino[4,5-b]indole

4-(3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-5H-pyridazino[4,5-b]indole (PubChem CID 15716991) has the molecular formula C26H27N7O and a molecular weight of 453.55 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-5H-pyridazino[4,5-b]indole.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-5H-pyridazino[4,5-b]indole
PubChem CID15716991
Molecular FormulaC26H27N7O
Molecular Weight453.55 g/mol
Exact Mass453.23
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-5H-pyridazino[4,5-b]indole
SMILESCOc1ccccc1N1CCN(c2nnc(-n3nc(C)cc3C)c3[nH]c4ccccc4c23)CC1
InChIInChI=1S/C26H27N7O/c1-17-16-18(2)33(30-17)26-24-23(19-8-4-5-9-20(19)27-24)25(28-29-26)32-14-12-31(13-15-32)21-10-6-7-11-22(21)34-3/h4-11,16,27H,12-15H2,1-3H3
InChIKeyAOOOKEUJBKRFHK-UHFFFAOYSA-N
XLogP4.25
TPSA75.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-7,8-dimethoxy-5H-pyridazino[4,5-b]indole
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CID 2031324
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine
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CID 135465183
3-(3,5-dimethylpyrazol-1-yl)-1H-indole
CID 3573300
2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanol
CID 3754494
5-chloro-1-(2-methoxyphenyl)-3-methylpyrazole
CID 66021210
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3-(chloromethyl)-1-(2-methoxyphenyl)-5-methylpyrazole
CID 82129618
3-cyclopropyl-5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-1,2,4-oxadiazole
CID 53182421
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenyl)quinazoline
CID 22330526

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-5H-pyridazino[4,5-b]indole?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-5H-pyridazino[4,5-b]indole (CID 15716991) is 4-(3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-5H-pyridazino[4,5-b]indole.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-5H-pyridazino[4,5-b]indole?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-5H-pyridazino[4,5-b]indole is COc1ccccc1N1CCN(c2nnc(-n3nc(C)cc3C)c3[nH]c4ccccc4c23)CC1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-5H-pyridazino[4,5-b]indole?
The InChIKey is AOOOKEUJBKRFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O/c1-17-16-18(2)33(30-17)26-24-23(19-8-4-5-9-20(19)27-24)25(28-29-26)32-14-12-31(13-15-32)21-10-6-7-11-22(21)34-3/h4-11,16,27H,12-15H2,1-3H3.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-5H-pyridazino[4,5-b]indole?
4-(3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-5H-pyridazino[4,5-b]indole has a molecular weight of 453.55 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-5H-pyridazino[4,5-b]indole is sourced from PubChem (CID 15716991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).