butane;N,N-dimethyl-6-[7-(1H-pyrazol-4-yl)-1H-indazol-4-yl]pyridazin-3-amine

C20H25N7 — CID 167502711

IUPACbutane;N,N-dimethyl-6-[7-(1H-pyrazol-4-yl)-1H-indazol-4-yl]pyridazin-3-amine
SMILESCCCC.CN(C)c1ccc(-c2ccc(-c3cn[nH]c3)c3[nH]ncc23)nn1
InChIInChI=1S/C16H15N7.C4H10/c1-23(2)15-6-5-14(20-21-15)12-4-3-11(10-7-17-18-8-10)16-13(12)9-19-22-16;1-3-4-2/h3-9H,1-2H3,(H,17,18)(H,19,22);3-4H2,1-2H3
InChIKeyWHIUBRZQYJQVDJ-UHFFFAOYSA-N
MW363.47 g/mol
LogP4.28
Rot. Bonds4

About butane;N,N-dimethyl-6-[7-(1H-pyrazol-4-yl)-1H-indazol-4-yl]pyridazin-3-amine

butane;N,N-dimethyl-6-[7-(1H-pyrazol-4-yl)-1H-indazol-4-yl]pyridazin-3-amine (PubChem CID 167502711) has the molecular formula C20H25N7 and a molecular weight of 363.47 g/mol. Its IUPAC name is butane;N,N-dimethyl-6-[7-(1H-pyrazol-4-yl)-1H-indazol-4-yl]pyridazin-3-amine.

Molecular Properties

Compound Namebutane;N,N-dimethyl-6-[7-(1H-pyrazol-4-yl)-1H-indazol-4-yl]pyridazin-3-amine
PubChem CID167502711
Molecular FormulaC20H25N7
Molecular Weight363.47 g/mol
Exact Mass363.22
IUPAC Namebutane;N,N-dimethyl-6-[7-(1H-pyrazol-4-yl)-1H-indazol-4-yl]pyridazin-3-amine
SMILESCCCC.CN(C)c1ccc(-c2ccc(-c3cn[nH]c3)c3[nH]ncc23)nn1
InChIInChI=1S/C16H15N7.C4H10/c1-23(2)15-6-5-14(20-21-15)12-4-3-11(10-7-17-18-8-10)16-13(12)9-19-22-16;1-3-4-2/h3-9H,1-2H3,(H,17,18)(H,19,22);3-4H2,1-2H3
InChIKeyWHIUBRZQYJQVDJ-UHFFFAOYSA-N
XLogP4.28
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze butane;N,N-dimethyl-6-[7-(1H-pyrazol-4-yl)-1H-indazol-4-yl]pyridazin-3-amine with MolForge

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Related Compounds

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
6-[4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]pyridazin-3-amine
CID 156845705
N-[6-[5-fluoro-4-(1H-pyrazol-4-yl)-1H-indazol-7-yl]pyridazin-3-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 167502407
(1S,5R)-N-methyl-N-[6-[4-(2-methyltriazol-4-yl)-1H-indazol-7-yl]pyridazin-3-yl]-8-azabicyclo[3.2.1]octan-3-amine
CID 156845361
2-[6-[cyclohexyl(methyl)amino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 154987934
2-[6-[[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-methylamino]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 154598788
(1S,5R)-N-[6-[6-fluoro-5-(1H-pyrazol-4-yl)-2-pyridinyl]pyridazin-3-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
CID 170322799
N-methyl-6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
CID 156845528
(1R,5S)-N-[6-[2-[7-[6-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]-1,2,4-triazin-3-yl]-4-(1H-pyrazol-4-yl)-1H-indazol-6-yl]-5-fluoro-4-(1H-pyrazol-4-yl)-1H-indazol-2-ium-7-yl]pyridazin-3-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 167502482
N-methyl-N-[6-[4-(1H-pyrazol-4-yl)-1,3-benzothiazol-7-yl]pyridazin-3-yl]-3-azabicyclo[3.1.0]hexan-6-amine
CID 165117224
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
6-[5-chloro-2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
CID 86710667

Frequently Asked Questions

What is the IUPAC name of butane;N,N-dimethyl-6-[7-(1H-pyrazol-4-yl)-1H-indazol-4-yl]pyridazin-3-amine?
The IUPAC name of butane;N,N-dimethyl-6-[7-(1H-pyrazol-4-yl)-1H-indazol-4-yl]pyridazin-3-amine (CID 167502711) is butane;N,N-dimethyl-6-[7-(1H-pyrazol-4-yl)-1H-indazol-4-yl]pyridazin-3-amine.
What is the SMILES notation for butane;N,N-dimethyl-6-[7-(1H-pyrazol-4-yl)-1H-indazol-4-yl]pyridazin-3-amine?
The canonical SMILES for butane;N,N-dimethyl-6-[7-(1H-pyrazol-4-yl)-1H-indazol-4-yl]pyridazin-3-amine is CCCC.CN(C)c1ccc(-c2ccc(-c3cn[nH]c3)c3[nH]ncc23)nn1.
What is the InChIKey of butane;N,N-dimethyl-6-[7-(1H-pyrazol-4-yl)-1H-indazol-4-yl]pyridazin-3-amine?
The InChIKey is WHIUBRZQYJQVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7.C4H10/c1-23(2)15-6-5-14(20-21-15)12-4-3-11(10-7-17-18-8-10)16-13(12)9-19-22-16;1-3-4-2/h3-9H,1-2H3,(H,17,18)(H,19,22);3-4H2,1-2H3.
What are the key properties of butane;N,N-dimethyl-6-[7-(1H-pyrazol-4-yl)-1H-indazol-4-yl]pyridazin-3-amine?
butane;N,N-dimethyl-6-[7-(1H-pyrazol-4-yl)-1H-indazol-4-yl]pyridazin-3-amine has a molecular weight of 363.47 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butane;N,N-dimethyl-6-[7-(1H-pyrazol-4-yl)-1H-indazol-4-yl]pyridazin-3-amine is sourced from PubChem (CID 167502711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).