N-ethyl-6-[4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine

C25H32N8 — CID 156845394

IUPACN-ethyl-6-[4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
SMILESCCN(c1ccc(-c2ccc(-c3cn[nH]c3)c3cn[nH]c23)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C25H32N8/c1-6-33(17-11-24(2,3)32-25(4,5)12-17)22-10-9-21(29-30-22)19-8-7-18(16-13-26-27-14-16)20-15-28-31-23(19)20/h7-10,13-15,17,32H,6,11-12H2,1-5H3,(H,26,27)(H,28,31)
InChIKeyHTHLXERGCHJXPD-UHFFFAOYSA-N
MW444.59 g/mol
LogP4.55
Rot. Bonds5

About N-ethyl-6-[4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine

N-ethyl-6-[4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine (PubChem CID 156845394) has the molecular formula C25H32N8 and a molecular weight of 444.59 g/mol. Its IUPAC name is N-ethyl-6-[4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-ethyl-6-[4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
PubChem CID156845394
Molecular FormulaC25H32N8
Molecular Weight444.59 g/mol
Exact Mass444.27
IUPAC NameN-ethyl-6-[4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
SMILESCCN(c1ccc(-c2ccc(-c3cn[nH]c3)c3cn[nH]c23)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C25H32N8/c1-6-33(17-11-24(2,3)32-25(4,5)12-17)22-10-9-21(29-30-22)19-8-7-18(16-13-26-27-14-16)20-15-28-31-23(19)20/h7-10,13-15,17,32H,6,11-12H2,1-5H3,(H,26,27)(H,28,31)
InChIKeyHTHLXERGCHJXPD-UHFFFAOYSA-N
XLogP4.55
TPSA98.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.59
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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N-methyl-5-[4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-4H-imidazo[4,5-d][1,3]thiazol-2-amine
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2-[6-[2-fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
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5-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
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5-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
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2-[6-[[(1R,5S)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 154598908
5-[2-methoxy-6-(1H-pyrazol-4-yl)-3-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The IUPAC name of N-ethyl-6-[4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine (CID 156845394) is N-ethyl-6-[4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine.
What is the SMILES notation for N-ethyl-6-[4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The canonical SMILES for N-ethyl-6-[4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine is CCN(c1ccc(-c2ccc(-c3cn[nH]c3)c3cn[nH]c23)nn1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of N-ethyl-6-[4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
The InChIKey is HTHLXERGCHJXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N8/c1-6-33(17-11-24(2,3)32-25(4,5)12-17)22-10-9-21(29-30-22)19-8-7-18(16-13-26-27-14-16)20-15-28-31-23(19)20/h7-10,13-15,17,32H,6,11-12H2,1-5H3,(H,26,27)(H,28,31).
What are the key properties of N-ethyl-6-[4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine?
N-ethyl-6-[4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine has a molecular weight of 444.59 g/mol, XLogP of 4.55, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine is sourced from PubChem (CID 156845394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).