3-imidazo[1,2-b]pyridazin-2-yl-7-(4-methylpiperazin-1-yl)-2H-chromen-2-ol

C20H21N5O2 — CID 129014626

IUPAC3-imidazo[1,2-b]pyridazin-2-yl-7-(4-methylpiperazin-1-yl)-2H-chromen-2-ol
SMILESCN1CCN(c2ccc3c(c2)OC(O)C(c2cn4ncccc4n2)=C3)CC1
InChIInChI=1S/C20H21N5O2/c1-23-7-9-24(10-8-23)15-5-4-14-11-16(20(26)27-18(14)12-15)17-13-25-19(22-17)3-2-6-21-25/h2-6,11-13,20,26H,7-10H2,1H3
InChIKeyLELJZHMJPMPTIH-UHFFFAOYSA-N
MW363.42 g/mol
LogP1.73
Rot. Bonds2

About 3-imidazo[1,2-b]pyridazin-2-yl-7-(4-methylpiperazin-1-yl)-2H-chromen-2-ol

3-imidazo[1,2-b]pyridazin-2-yl-7-(4-methylpiperazin-1-yl)-2H-chromen-2-ol (PubChem CID 129014626) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-imidazo[1,2-b]pyridazin-2-yl-7-(4-methylpiperazin-1-yl)-2H-chromen-2-ol.

Molecular Properties

Compound Name3-imidazo[1,2-b]pyridazin-2-yl-7-(4-methylpiperazin-1-yl)-2H-chromen-2-ol
PubChem CID129014626
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name3-imidazo[1,2-b]pyridazin-2-yl-7-(4-methylpiperazin-1-yl)-2H-chromen-2-ol
SMILESCN1CCN(c2ccc3c(c2)OC(O)C(c2cn4ncccc4n2)=C3)CC1
InChIInChI=1S/C20H21N5O2/c1-23-7-9-24(10-8-23)15-5-4-14-11-16(20(26)27-18(14)12-15)17-13-25-19(22-17)3-2-6-21-25/h2-6,11-13,20,26H,7-10H2,1H3
InChIKeyLELJZHMJPMPTIH-UHFFFAOYSA-N
XLogP1.73
TPSA66.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-pyrrolo[1,2-a]pyrimidin-7-yl-2H-chromen-2-ol
CID 139439044
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[(3S)-4-ethyl-3-methylpiperazin-1-yl]-2H-chromen-2-ol
CID 130383095
5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 151310719
7-(6,9-diazaspiro[4.5]decan-9-yl)-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-2H-chromen-2-ol
CID 146228527
7-[(3S)-3-methylpiperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]-2H-chromen-2-ol
CID 129014615
1-adamantyl-[7-(4-methylpiperazin-1-yl)-2H-chromen-3-yl]methanone
CID 11538407
6-(4-methyl-1,4-diazepan-1-yl)-2-pyridin-3-yl-2,3-dihydrochromen-4-one
CID 141386094
3-imidazo[1,2-a]pyridin-2-yl-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one
CID 163611979
4-(4-methylpiperazin-1-yl)benzene-1,2-diol
CID 84676102
7-(4-methylpiperazin-1-yl)-3-(1-methylpyrazol-3-yl)-3,4-dihydrochromen-2-one
CID 141376412
6-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4,5-triamine
CID 175917946
ethane;1-methyl-4-(1-methylpyrrol-3-yl)piperazine
CID 91588083

Frequently Asked Questions

What is the IUPAC name of 3-imidazo[1,2-b]pyridazin-2-yl-7-(4-methylpiperazin-1-yl)-2H-chromen-2-ol?
The IUPAC name of 3-imidazo[1,2-b]pyridazin-2-yl-7-(4-methylpiperazin-1-yl)-2H-chromen-2-ol (CID 129014626) is 3-imidazo[1,2-b]pyridazin-2-yl-7-(4-methylpiperazin-1-yl)-2H-chromen-2-ol.
What is the SMILES notation for 3-imidazo[1,2-b]pyridazin-2-yl-7-(4-methylpiperazin-1-yl)-2H-chromen-2-ol?
The canonical SMILES for 3-imidazo[1,2-b]pyridazin-2-yl-7-(4-methylpiperazin-1-yl)-2H-chromen-2-ol is CN1CCN(c2ccc3c(c2)OC(O)C(c2cn4ncccc4n2)=C3)CC1.
What is the InChIKey of 3-imidazo[1,2-b]pyridazin-2-yl-7-(4-methylpiperazin-1-yl)-2H-chromen-2-ol?
The InChIKey is LELJZHMJPMPTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-23-7-9-24(10-8-23)15-5-4-14-11-16(20(26)27-18(14)12-15)17-13-25-19(22-17)3-2-6-21-25/h2-6,11-13,20,26H,7-10H2,1H3.
What are the key properties of 3-imidazo[1,2-b]pyridazin-2-yl-7-(4-methylpiperazin-1-yl)-2H-chromen-2-ol?
3-imidazo[1,2-b]pyridazin-2-yl-7-(4-methylpiperazin-1-yl)-2H-chromen-2-ol has a molecular weight of 363.42 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[1,2-b]pyridazin-2-yl-7-(4-methylpiperazin-1-yl)-2H-chromen-2-ol is sourced from PubChem (CID 129014626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).