2-(2-amino-2,4-dimethylpentoxy)-5-(2-cyclopropylimidazo[1,2-b]pyridazin-8-yl)benzonitrile

C23H27N5O — CID 135390354

IUPAC2-(2-amino-2,4-dimethylpentoxy)-5-(2-cyclopropylimidazo[1,2-b]pyridazin-8-yl)benzonitrile
SMILESCC(C)CC(C)(N)COc1ccc(-c2ccnn3cc(C4CC4)nc23)cc1C#N
InChIInChI=1S/C23H27N5O/c1-15(2)11-23(3,25)14-29-21-7-6-17(10-18(21)12-24)19-8-9-26-28-13-20(16-4-5-16)27-22(19)28/h6-10,13,15-16H,4-5,11,14,25H2,1-3H3
InChIKeyGPHQKOCUIQONQZ-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.29
Rot. Bonds7

About 2-(2-amino-2,4-dimethylpentoxy)-5-(2-cyclopropylimidazo[1,2-b]pyridazin-8-yl)benzonitrile

2-(2-amino-2,4-dimethylpentoxy)-5-(2-cyclopropylimidazo[1,2-b]pyridazin-8-yl)benzonitrile (PubChem CID 135390354) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-(2-amino-2,4-dimethylpentoxy)-5-(2-cyclopropylimidazo[1,2-b]pyridazin-8-yl)benzonitrile.

Molecular Properties

Compound Name2-(2-amino-2,4-dimethylpentoxy)-5-(2-cyclopropylimidazo[1,2-b]pyridazin-8-yl)benzonitrile
PubChem CID135390354
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name2-(2-amino-2,4-dimethylpentoxy)-5-(2-cyclopropylimidazo[1,2-b]pyridazin-8-yl)benzonitrile
SMILESCC(C)CC(C)(N)COc1ccc(-c2ccnn3cc(C4CC4)nc23)cc1C#N
InChIInChI=1S/C23H27N5O/c1-15(2)11-23(3,25)14-29-21-7-6-17(10-18(21)12-24)19-8-9-26-28-13-20(16-4-5-16)27-22(19)28/h6-10,13,15-16H,4-5,11,14,25H2,1-3H3
InChIKeyGPHQKOCUIQONQZ-UHFFFAOYSA-N
XLogP4.29
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dimethyl-1-[[2-methyl-6-(2-methylimidazo[1,2-b]pyridazin-8-yl)-3-pyridinyl]oxy]pentan-2-amine
CID 137459453
2-[(2S)-2-amino-2,4-dimethylpentoxy]-5-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)benzonitrile;7-bromo-2-methyl-1H-imidazo[4,5-b]pyridine
CID 158460179
2-(2-amino-2,4-dimethylpentoxy)-5-[2-(piperidin-4-ylamino)-4-pyridinyl]benzonitrile
CID 135284472
[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-cyanophenyl]-2-pyridinyl]-methylcarbamic acid
CID 135325646
2-[(2S)-2-amino-2,4-dimethylpentoxy]-5-(2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)benzonitrile
CID 135284560
[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-cyanophenyl]-3-fluoro-2-pyridinyl] N-methylcarbamate
CID 175073241
2-[(2S)-2-amino-2,4-dimethylpentoxy]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzonitrile
CID 137459390
N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-cyanophenyl]-2-pyridinyl]propanamide
CID 152925171
(2S)-2,4-dimethyl-1-(2-methyl-4-pyrazolo[1,5-a]pyrimidin-3-ylphenoxy)pentan-2-amine
CID 137472254
2,4-dimethyl-1-[[3-methyl-5-[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-8-yl]-2-pyridinyl]oxy]pentan-2-amine
CID 135390512
2-[(2S)-2-amino-2,4-dimethylpentoxy]-6-methyl-5-pyridin-4-ylpyridine-3-carbonitrile
CID 175073119
2,4-dimethyl-1-(2-methyl-4-pyrazolo[1,5-a]pyridin-3-ylphenoxy)pentan-2-amine
CID 137459432

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2,4-dimethylpentoxy)-5-(2-cyclopropylimidazo[1,2-b]pyridazin-8-yl)benzonitrile?
The IUPAC name of 2-(2-amino-2,4-dimethylpentoxy)-5-(2-cyclopropylimidazo[1,2-b]pyridazin-8-yl)benzonitrile (CID 135390354) is 2-(2-amino-2,4-dimethylpentoxy)-5-(2-cyclopropylimidazo[1,2-b]pyridazin-8-yl)benzonitrile.
What is the SMILES notation for 2-(2-amino-2,4-dimethylpentoxy)-5-(2-cyclopropylimidazo[1,2-b]pyridazin-8-yl)benzonitrile?
The canonical SMILES for 2-(2-amino-2,4-dimethylpentoxy)-5-(2-cyclopropylimidazo[1,2-b]pyridazin-8-yl)benzonitrile is CC(C)CC(C)(N)COc1ccc(-c2ccnn3cc(C4CC4)nc23)cc1C#N.
What is the InChIKey of 2-(2-amino-2,4-dimethylpentoxy)-5-(2-cyclopropylimidazo[1,2-b]pyridazin-8-yl)benzonitrile?
The InChIKey is GPHQKOCUIQONQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-15(2)11-23(3,25)14-29-21-7-6-17(10-18(21)12-24)19-8-9-26-28-13-20(16-4-5-16)27-22(19)28/h6-10,13,15-16H,4-5,11,14,25H2,1-3H3.
What are the key properties of 2-(2-amino-2,4-dimethylpentoxy)-5-(2-cyclopropylimidazo[1,2-b]pyridazin-8-yl)benzonitrile?
2-(2-amino-2,4-dimethylpentoxy)-5-(2-cyclopropylimidazo[1,2-b]pyridazin-8-yl)benzonitrile has a molecular weight of 389.50 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2,4-dimethylpentoxy)-5-(2-cyclopropylimidazo[1,2-b]pyridazin-8-yl)benzonitrile is sourced from PubChem (CID 135390354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).