[3-[3-[(2-morpholin-4-yl-4-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol

C22H22N6O2 — CID 134807238

IUPAC[3-[3-[(2-morpholin-4-yl-4-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol
SMILESOCc1cccc(-c2ccc3ncc(Nc4ccnc(N5CCOCC5)c4)n3n2)c1
InChIInChI=1S/C22H22N6O2/c29-15-16-2-1-3-17(12-16)19-4-5-20-24-14-22(28(20)26-19)25-18-6-7-23-21(13-18)27-8-10-30-11-9-27/h1-7,12-14,29H,8-11,15H2,(H,23,25)
InChIKeyBNTJFRAXTQRRCH-UHFFFAOYSA-N
MW402.46 g/mol
LogP2.86
Rot. Bonds5

About [3-[3-[(2-morpholin-4-yl-4-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol

[3-[3-[(2-morpholin-4-yl-4-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol (PubChem CID 134807238) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is [3-[3-[(2-morpholin-4-yl-4-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[3-[(2-morpholin-4-yl-4-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol
PubChem CID134807238
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name[3-[3-[(2-morpholin-4-yl-4-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol
SMILESOCc1cccc(-c2ccc3ncc(Nc4ccnc(N5CCOCC5)c4)n3n2)c1
InChIInChI=1S/C22H22N6O2/c29-15-16-2-1-3-17(12-16)19-4-5-20-24-14-22(28(20)26-19)25-18-6-7-23-21(13-18)27-8-10-30-11-9-27/h1-7,12-14,29H,8-11,15H2,(H,23,25)
InChIKeyBNTJFRAXTQRRCH-UHFFFAOYSA-N
XLogP2.86
TPSA87.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [3-[3-[(2-morpholin-4-yl-4-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol?
The IUPAC name of [3-[3-[(2-morpholin-4-yl-4-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol (CID 134807238) is [3-[3-[(2-morpholin-4-yl-4-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol.
What is the SMILES notation for [3-[3-[(2-morpholin-4-yl-4-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol?
The canonical SMILES for [3-[3-[(2-morpholin-4-yl-4-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol is OCc1cccc(-c2ccc3ncc(Nc4ccnc(N5CCOCC5)c4)n3n2)c1.
What is the InChIKey of [3-[3-[(2-morpholin-4-yl-4-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol?
The InChIKey is BNTJFRAXTQRRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c29-15-16-2-1-3-17(12-16)19-4-5-20-24-14-22(28(20)26-19)25-18-6-7-23-21(13-18)27-8-10-30-11-9-27/h1-7,12-14,29H,8-11,15H2,(H,23,25).
What are the key properties of [3-[3-[(2-morpholin-4-yl-4-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol?
[3-[3-[(2-morpholin-4-yl-4-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol has a molecular weight of 402.46 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[(2-morpholin-4-yl-4-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol is sourced from PubChem (CID 134807238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).