2-butyl-3-[[4-[[2-(2-methoxyethoxy)ethylamino]methyl]phenyl]methyl]-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine

C25H38N6O3 — CID 164855933

IUPAC2-butyl-3-[[4-[[2-(2-methoxyethoxy)ethylamino]methyl]phenyl]methyl]-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine
SMILESCCCCc1nc2c(N)nnc(OC(C)C)c2n1Cc1ccc(CNCCOCCOC)cc1
InChIInChI=1S/C25H38N6O3/c1-5-6-7-21-28-22-23(25(34-18(2)3)30-29-24(22)26)31(21)17-20-10-8-19(9-11-20)16-27-12-13-33-15-14-32-4/h8-11,18,27H,5-7,12-17H2,1-4H3,(H2,26,29)
InChIKeyVLCQBYUVDYDYTF-UHFFFAOYSA-N
MW470.62 g/mol
LogP3.34
Rot. Bonds15

About 2-butyl-3-[[4-[[2-(2-methoxyethoxy)ethylamino]methyl]phenyl]methyl]-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine

2-butyl-3-[[4-[[2-(2-methoxyethoxy)ethylamino]methyl]phenyl]methyl]-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine (PubChem CID 164855933) has the molecular formula C25H38N6O3 and a molecular weight of 470.62 g/mol. Its IUPAC name is 2-butyl-3-[[4-[[2-(2-methoxyethoxy)ethylamino]methyl]phenyl]methyl]-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine.

Molecular Properties

Compound Name2-butyl-3-[[4-[[2-(2-methoxyethoxy)ethylamino]methyl]phenyl]methyl]-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine
PubChem CID164855933
Molecular FormulaC25H38N6O3
Molecular Weight470.62 g/mol
Exact Mass470.30
IUPAC Name2-butyl-3-[[4-[[2-(2-methoxyethoxy)ethylamino]methyl]phenyl]methyl]-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine
SMILESCCCCc1nc2c(N)nnc(OC(C)C)c2n1Cc1ccc(CNCCOCCOC)cc1
InChIInChI=1S/C25H38N6O3/c1-5-6-7-21-28-22-23(25(34-18(2)3)30-29-24(22)26)31(21)17-20-10-8-19(9-11-20)16-27-12-13-33-15-14-32-4/h8-11,18,27H,5-7,12-17H2,1-4H3,(H2,26,29)
InChIKeyVLCQBYUVDYDYTF-UHFFFAOYSA-N
XLogP3.34
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[(7-amino-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-3-yl)methyl]phenyl]methyl]methanesulfonamide
CID 164855828
3-[[5-(aminomethyl)-2-pyridinyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine
CID 164855777
2-butyl-4-N-(2-methoxyethyl)-3-[(4-methoxyphenyl)methyl]imidazo[4,5-d]pyridazine-4,7-diamine
CID 164855590
2-butyl-3-[[3-[[(1,1-dioxothietan-3-yl)amino]methyl]phenyl]methyl]-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine
CID 164855834
2-butyl-1-[(4-methoxyphenyl)methyl]-7-(3-methylbutyl)imidazo[4,5-d]pyridazin-4-amine
CID 164855591
2-butyl-1-[(4-methoxyphenyl)methyl]-7-prop-1-en-2-ylimidazo[4,5-d]pyridazin-4-amine
CID 164855663
2-butyl-1-[[4-[(nonadecylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
CID 138618993
3-[2-[2-[2-[[2-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoic acid
CID 155178443
2-butyl-3-[6-(oxan-4-ylamino)hexyl]-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine;dihydrochloride
CID 164855564
2-butyl-3-[(4-methoxyphenyl)methyl]-4-pyrrolidin-1-ylimidazo[4,5-d]pyridazin-7-amine
CID 164855822
1-[[4-(2-aminoethyl)phenyl]methyl]-2-butyl-7-[(E)-3-methylbut-1-enyl]imidazo[4,5-d]pyridazin-4-amine
CID 171575321
3-[[(1S,3S)-3-aminocyclohexyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine
CID 170781412

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-[[4-[[2-(2-methoxyethoxy)ethylamino]methyl]phenyl]methyl]-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine?
The IUPAC name of 2-butyl-3-[[4-[[2-(2-methoxyethoxy)ethylamino]methyl]phenyl]methyl]-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine (CID 164855933) is 2-butyl-3-[[4-[[2-(2-methoxyethoxy)ethylamino]methyl]phenyl]methyl]-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine.
What is the SMILES notation for 2-butyl-3-[[4-[[2-(2-methoxyethoxy)ethylamino]methyl]phenyl]methyl]-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine?
The canonical SMILES for 2-butyl-3-[[4-[[2-(2-methoxyethoxy)ethylamino]methyl]phenyl]methyl]-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine is CCCCc1nc2c(N)nnc(OC(C)C)c2n1Cc1ccc(CNCCOCCOC)cc1.
What is the InChIKey of 2-butyl-3-[[4-[[2-(2-methoxyethoxy)ethylamino]methyl]phenyl]methyl]-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine?
The InChIKey is VLCQBYUVDYDYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N6O3/c1-5-6-7-21-28-22-23(25(34-18(2)3)30-29-24(22)26)31(21)17-20-10-8-19(9-11-20)16-27-12-13-33-15-14-32-4/h8-11,18,27H,5-7,12-17H2,1-4H3,(H2,26,29).
What are the key properties of 2-butyl-3-[[4-[[2-(2-methoxyethoxy)ethylamino]methyl]phenyl]methyl]-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine?
2-butyl-3-[[4-[[2-(2-methoxyethoxy)ethylamino]methyl]phenyl]methyl]-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine has a molecular weight of 470.62 g/mol, XLogP of 3.34, 15 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-[[4-[[2-(2-methoxyethoxy)ethylamino]methyl]phenyl]methyl]-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine is sourced from PubChem (CID 164855933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).