[3-[3-[(5-methoxy-3-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol

C19H17N5O2 — CID 134809658

IUPAC[3-[3-[(5-methoxy-3-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol
SMILESCOc1cncc(Nc2cnc3ccc(-c4cccc(CO)c4)nn23)c1
InChIInChI=1S/C19H17N5O2/c1-26-16-8-15(9-20-10-16)22-19-11-21-18-6-5-17(23-24(18)19)14-4-2-3-13(7-14)12-25/h2-11,22,25H,12H2,1H3
InChIKeyHNJRNMDXGSSXAZ-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.04
Rot. Bonds5

About [3-[3-[(5-methoxy-3-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol

[3-[3-[(5-methoxy-3-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol (PubChem CID 134809658) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is [3-[3-[(5-methoxy-3-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[3-[(5-methoxy-3-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol
PubChem CID134809658
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name[3-[3-[(5-methoxy-3-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol
SMILESCOc1cncc(Nc2cnc3ccc(-c4cccc(CO)c4)nn23)c1
InChIInChI=1S/C19H17N5O2/c1-26-16-8-15(9-20-10-16)22-19-11-21-18-6-5-17(23-24(18)19)14-4-2-3-13(7-14)12-25/h2-11,22,25H,12H2,1H3
InChIKeyHNJRNMDXGSSXAZ-UHFFFAOYSA-N
XLogP3.04
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[3-[(5-methoxy-3-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol?
The IUPAC name of [3-[3-[(5-methoxy-3-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol (CID 134809658) is [3-[3-[(5-methoxy-3-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol.
What is the SMILES notation for [3-[3-[(5-methoxy-3-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol?
The canonical SMILES for [3-[3-[(5-methoxy-3-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol is COc1cncc(Nc2cnc3ccc(-c4cccc(CO)c4)nn23)c1.
What is the InChIKey of [3-[3-[(5-methoxy-3-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol?
The InChIKey is HNJRNMDXGSSXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-26-16-8-15(9-20-10-16)22-19-11-21-18-6-5-17(23-24(18)19)14-4-2-3-13(7-14)12-25/h2-11,22,25H,12H2,1H3.
What are the key properties of [3-[3-[(5-methoxy-3-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol?
[3-[3-[(5-methoxy-3-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol has a molecular weight of 347.38 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[(5-methoxy-3-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol is sourced from PubChem (CID 134809658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).