6-[2-(3-hydroxypropoxy)phenyl]-2-methyl-N-pyridin-2-ylimidazo[1,2-b]pyridazine-3-carboxamide

C22H21N5O3 — CID 123761197

IUPAC6-[2-(3-hydroxypropoxy)phenyl]-2-methyl-N-pyridin-2-ylimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1nc2ccc(-c3ccccc3OCCCO)nn2c1C(=O)Nc1ccccn1
InChIInChI=1S/C22H21N5O3/c1-15-21(22(29)25-19-9-4-5-12-23-19)27-20(24-15)11-10-17(26-27)16-7-2-3-8-18(16)30-14-6-13-28/h2-5,7-12,28H,6,13-14H2,1H3,(H,23,25,29)
InChIKeyRKSZGARSTHAAFY-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.11
Rot. Bonds7

About 6-[2-(3-hydroxypropoxy)phenyl]-2-methyl-N-pyridin-2-ylimidazo[1,2-b]pyridazine-3-carboxamide

6-[2-(3-hydroxypropoxy)phenyl]-2-methyl-N-pyridin-2-ylimidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 123761197) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is 6-[2-(3-hydroxypropoxy)phenyl]-2-methyl-N-pyridin-2-ylimidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(3-hydroxypropoxy)phenyl]-2-methyl-N-pyridin-2-ylimidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID123761197
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC Name6-[2-(3-hydroxypropoxy)phenyl]-2-methyl-N-pyridin-2-ylimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1nc2ccc(-c3ccccc3OCCCO)nn2c1C(=O)Nc1ccccn1
InChIInChI=1S/C22H21N5O3/c1-15-21(22(29)25-19-9-4-5-12-23-19)27-20(24-15)11-10-17(26-27)16-7-2-3-8-18(16)30-14-6-13-28/h2-5,7-12,28H,6,13-14H2,1H3,(H,23,25,29)
InChIKeyRKSZGARSTHAAFY-UHFFFAOYSA-N
XLogP3.11
TPSA101.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(2,3-dihydroxypropoxy)phenyl]-2-methyl-N-(6-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 123372483
N-(4,6-dimethyl-2-pyridinyl)-6-[2-(3-hydroxypropoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 144734852
6-[2-[(2R)-2,3-dihydroxypropoxy]phenyl]-N-(4-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 71525950
N-(1,2-dihydro-1,2,4-triazin-5-yl)-2-methyl-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 136611750
2-(2-pyridin-2-ylphenoxy)ethanol
CID 170698166
(2-methylphenyl) N-pyridin-2-ylcarbamate
CID 127542519
2-methoxy-N-pyridin-2-ylbenzamide;trihydrochloride
CID 175760684
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
4-[[2-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-N-pyridin-2-ylbenzamide
CID 69073439
4-methyl-N-pyridin-2-yl-1,3-thiazole-2-carboxamide
CID 110696243
2-(2-ethylphenoxy)-N-pyridin-2-ylacetamide
CID 47111739
2,5-dimethyl-N-[2-(2-phenylphenoxy)ethyl]pyrazole-3-carboxamide
CID 51093613

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-hydroxypropoxy)phenyl]-2-methyl-N-pyridin-2-ylimidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[2-(3-hydroxypropoxy)phenyl]-2-methyl-N-pyridin-2-ylimidazo[1,2-b]pyridazine-3-carboxamide (CID 123761197) is 6-[2-(3-hydroxypropoxy)phenyl]-2-methyl-N-pyridin-2-ylimidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[2-(3-hydroxypropoxy)phenyl]-2-methyl-N-pyridin-2-ylimidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[2-(3-hydroxypropoxy)phenyl]-2-methyl-N-pyridin-2-ylimidazo[1,2-b]pyridazine-3-carboxamide is Cc1nc2ccc(-c3ccccc3OCCCO)nn2c1C(=O)Nc1ccccn1.
What is the InChIKey of 6-[2-(3-hydroxypropoxy)phenyl]-2-methyl-N-pyridin-2-ylimidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is RKSZGARSTHAAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-15-21(22(29)25-19-9-4-5-12-23-19)27-20(24-15)11-10-17(26-27)16-7-2-3-8-18(16)30-14-6-13-28/h2-5,7-12,28H,6,13-14H2,1H3,(H,23,25,29).
What are the key properties of 6-[2-(3-hydroxypropoxy)phenyl]-2-methyl-N-pyridin-2-ylimidazo[1,2-b]pyridazine-3-carboxamide?
6-[2-(3-hydroxypropoxy)phenyl]-2-methyl-N-pyridin-2-ylimidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-hydroxypropoxy)phenyl]-2-methyl-N-pyridin-2-ylimidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 123761197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).