4-(imidazo[1,2-b]pyridazin-6-ylamino)-1-[2-[(4-methoxyphenyl)methoxy]-4-pyridinyl]butan-1-ol

C23H25N5O3 — CID 144738559

IUPAC4-(imidazo[1,2-b]pyridazin-6-ylamino)-1-[2-[(4-methoxyphenyl)methoxy]-4-pyridinyl]butan-1-ol
SMILESCOc1ccc(COc2cc(C(O)CCCNc3ccc4nccn4n3)ccn2)cc1
InChIInChI=1S/C23H25N5O3/c1-30-19-6-4-17(5-7-19)16-31-23-15-18(10-12-26-23)20(29)3-2-11-24-21-8-9-22-25-13-14-28(22)27-21/h4-10,12-15,20,29H,2-3,11,16H2,1H3,(H,24,27)
InChIKeySYEYQWJZFFZMKT-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.64
Rot. Bonds10

About 4-(imidazo[1,2-b]pyridazin-6-ylamino)-1-[2-[(4-methoxyphenyl)methoxy]-4-pyridinyl]butan-1-ol

4-(imidazo[1,2-b]pyridazin-6-ylamino)-1-[2-[(4-methoxyphenyl)methoxy]-4-pyridinyl]butan-1-ol (PubChem CID 144738559) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 4-(imidazo[1,2-b]pyridazin-6-ylamino)-1-[2-[(4-methoxyphenyl)methoxy]-4-pyridinyl]butan-1-ol.

Molecular Properties

Compound Name4-(imidazo[1,2-b]pyridazin-6-ylamino)-1-[2-[(4-methoxyphenyl)methoxy]-4-pyridinyl]butan-1-ol
PubChem CID144738559
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name4-(imidazo[1,2-b]pyridazin-6-ylamino)-1-[2-[(4-methoxyphenyl)methoxy]-4-pyridinyl]butan-1-ol
SMILESCOc1ccc(COc2cc(C(O)CCCNc3ccc4nccn4n3)ccn2)cc1
InChIInChI=1S/C23H25N5O3/c1-30-19-6-4-17(5-7-19)16-31-23-15-18(10-12-26-23)20(29)3-2-11-24-21-8-9-22-25-13-14-28(22)27-21/h4-10,12-15,20,29H,2-3,11,16H2,1H3,(H,24,27)
InChIKeySYEYQWJZFFZMKT-UHFFFAOYSA-N
XLogP3.64
TPSA93.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(imidazo[1,2-b]pyridazin-6-ylamino)-1-[2-[(4-methoxyphenyl)methoxy]-4-pyridinyl]butan-1-ol?
The IUPAC name of 4-(imidazo[1,2-b]pyridazin-6-ylamino)-1-[2-[(4-methoxyphenyl)methoxy]-4-pyridinyl]butan-1-ol (CID 144738559) is 4-(imidazo[1,2-b]pyridazin-6-ylamino)-1-[2-[(4-methoxyphenyl)methoxy]-4-pyridinyl]butan-1-ol.
What is the SMILES notation for 4-(imidazo[1,2-b]pyridazin-6-ylamino)-1-[2-[(4-methoxyphenyl)methoxy]-4-pyridinyl]butan-1-ol?
The canonical SMILES for 4-(imidazo[1,2-b]pyridazin-6-ylamino)-1-[2-[(4-methoxyphenyl)methoxy]-4-pyridinyl]butan-1-ol is COc1ccc(COc2cc(C(O)CCCNc3ccc4nccn4n3)ccn2)cc1.
What is the InChIKey of 4-(imidazo[1,2-b]pyridazin-6-ylamino)-1-[2-[(4-methoxyphenyl)methoxy]-4-pyridinyl]butan-1-ol?
The InChIKey is SYEYQWJZFFZMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-30-19-6-4-17(5-7-19)16-31-23-15-18(10-12-26-23)20(29)3-2-11-24-21-8-9-22-25-13-14-28(22)27-21/h4-10,12-15,20,29H,2-3,11,16H2,1H3,(H,24,27).
What are the key properties of 4-(imidazo[1,2-b]pyridazin-6-ylamino)-1-[2-[(4-methoxyphenyl)methoxy]-4-pyridinyl]butan-1-ol?
4-(imidazo[1,2-b]pyridazin-6-ylamino)-1-[2-[(4-methoxyphenyl)methoxy]-4-pyridinyl]butan-1-ol has a molecular weight of 419.49 g/mol, XLogP of 3.64, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazo[1,2-b]pyridazin-6-ylamino)-1-[2-[(4-methoxyphenyl)methoxy]-4-pyridinyl]butan-1-ol is sourced from PubChem (CID 144738559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).