7-pyrazol-1-yl-4-[3-(3,3,5,5-tetramethylpiperazin-1-yl)-1,2,4-triazin-6-yl]-1H-indazole

C21H25N9 — CID 167502583

IUPAC7-pyrazol-1-yl-4-[3-(3,3,5,5-tetramethylpiperazin-1-yl)-1,2,4-triazin-6-yl]-1H-indazole
SMILESCC1(C)CN(c2ncc(-c3ccc(-n4cccn4)c4[nH]ncc34)nn2)CC(C)(C)N1
InChIInChI=1S/C21H25N9/c1-20(2)12-29(13-21(3,4)28-20)19-22-11-16(25-27-19)14-6-7-17(30-9-5-8-24-30)18-15(14)10-23-26-18/h5-11,28H,12-13H2,1-4H3,(H,23,26)
InChIKeyBMZZOOIZDFOOHM-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.57
Rot. Bonds3

About 7-pyrazol-1-yl-4-[3-(3,3,5,5-tetramethylpiperazin-1-yl)-1,2,4-triazin-6-yl]-1H-indazole

7-pyrazol-1-yl-4-[3-(3,3,5,5-tetramethylpiperazin-1-yl)-1,2,4-triazin-6-yl]-1H-indazole (PubChem CID 167502583) has the molecular formula C21H25N9 and a molecular weight of 403.49 g/mol. Its IUPAC name is 7-pyrazol-1-yl-4-[3-(3,3,5,5-tetramethylpiperazin-1-yl)-1,2,4-triazin-6-yl]-1H-indazole.

Molecular Properties

Compound Name7-pyrazol-1-yl-4-[3-(3,3,5,5-tetramethylpiperazin-1-yl)-1,2,4-triazin-6-yl]-1H-indazole
PubChem CID167502583
Molecular FormulaC21H25N9
Molecular Weight403.49 g/mol
Exact Mass403.22
IUPAC Name7-pyrazol-1-yl-4-[3-(3,3,5,5-tetramethylpiperazin-1-yl)-1,2,4-triazin-6-yl]-1H-indazole
SMILESCC1(C)CN(c2ncc(-c3ccc(-n4cccn4)c4[nH]ncc34)nn2)CC(C)(C)N1
InChIInChI=1S/C21H25N9/c1-20(2)12-29(13-21(3,4)28-20)19-22-11-16(25-27-19)14-6-7-17(30-9-5-8-24-30)18-15(14)10-23-26-18/h5-11,28H,12-13H2,1-4H3,(H,23,26)
InChIKeyBMZZOOIZDFOOHM-UHFFFAOYSA-N
XLogP2.57
TPSA100.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-(1H-pyrazol-4-yl)-7-[3-(3,3,5,5-tetramethylpiperazin-1-yl)-1,2,4-triazin-6-yl]-1,3-benzothiazole
CID 167502570
(1R,5S)-N-methyl-N-[6-[7-(1,2,4-triazol-1-yl)-1H-indazol-4-yl]-1,2,4-triazin-3-yl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 167502730
ethane;[4-[3-(methylamino)-1,2,4-triazin-6-yl]-7-pyrazol-1-ylindazol-1-yl] thiohypofluorite
CID 167502403
2-[3-(2,6-diazaspiro[3.3]heptan-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;dihydrochloride
CID 139536597
5-(4-methyl-2-pyrazol-1-ylphenyl)pyrazin-2-amine
CID 72868725
4-(4-methyl-2-pyrazol-1-ylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 50976695
5-imidazol-1-yl-2-[3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]phenol;hydrochloride
CID 139536861
2,3-di(pyrazol-1-yl)pyridine
CID 91358877
N-[(2-pyrazol-1-ylphenyl)methyl]methanesulfonamide
CID 47454487
1-[2,3,4-tri(pyrazol-1-yl)phenyl]pyrazole
CID 101467101
2-[3-(3-amino-3-methylpyrrolidin-1-yl)-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol
CID 139549307
N-methyl-6-[1-(2-pyrazol-1-ylphenyl)ethylamino]pyridine-3-sulfonamide
CID 133361525

Frequently Asked Questions

What is the IUPAC name of 7-pyrazol-1-yl-4-[3-(3,3,5,5-tetramethylpiperazin-1-yl)-1,2,4-triazin-6-yl]-1H-indazole?
The IUPAC name of 7-pyrazol-1-yl-4-[3-(3,3,5,5-tetramethylpiperazin-1-yl)-1,2,4-triazin-6-yl]-1H-indazole (CID 167502583) is 7-pyrazol-1-yl-4-[3-(3,3,5,5-tetramethylpiperazin-1-yl)-1,2,4-triazin-6-yl]-1H-indazole.
What is the SMILES notation for 7-pyrazol-1-yl-4-[3-(3,3,5,5-tetramethylpiperazin-1-yl)-1,2,4-triazin-6-yl]-1H-indazole?
The canonical SMILES for 7-pyrazol-1-yl-4-[3-(3,3,5,5-tetramethylpiperazin-1-yl)-1,2,4-triazin-6-yl]-1H-indazole is CC1(C)CN(c2ncc(-c3ccc(-n4cccn4)c4[nH]ncc34)nn2)CC(C)(C)N1.
What is the InChIKey of 7-pyrazol-1-yl-4-[3-(3,3,5,5-tetramethylpiperazin-1-yl)-1,2,4-triazin-6-yl]-1H-indazole?
The InChIKey is BMZZOOIZDFOOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N9/c1-20(2)12-29(13-21(3,4)28-20)19-22-11-16(25-27-19)14-6-7-17(30-9-5-8-24-30)18-15(14)10-23-26-18/h5-11,28H,12-13H2,1-4H3,(H,23,26).
What are the key properties of 7-pyrazol-1-yl-4-[3-(3,3,5,5-tetramethylpiperazin-1-yl)-1,2,4-triazin-6-yl]-1H-indazole?
7-pyrazol-1-yl-4-[3-(3,3,5,5-tetramethylpiperazin-1-yl)-1,2,4-triazin-6-yl]-1H-indazole has a molecular weight of 403.49 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyrazol-1-yl-4-[3-(3,3,5,5-tetramethylpiperazin-1-yl)-1,2,4-triazin-6-yl]-1H-indazole is sourced from PubChem (CID 167502583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).