3-chloro-2-(2,6-dimethyl-8-pentylimidazo[1,2-b]pyridazin-3-yl)thieno[3,2-b]pyridine

C20H21ClN4S — CID 69148849

IUPAC3-chloro-2-(2,6-dimethyl-8-pentylimidazo[1,2-b]pyridazin-3-yl)thieno[3,2-b]pyridine
SMILESCCCCCc1cc(C)nn2c(-c3sc4cccnc4c3Cl)c(C)nc12
InChIInChI=1S/C20H21ClN4S/c1-4-5-6-8-14-11-12(2)24-25-18(13(3)23-20(14)25)19-16(21)17-15(26-19)9-7-10-22-17/h7,9-11H,4-6,8H2,1-3H3
InChIKeySYUGLODVTBPBGA-UHFFFAOYSA-N
MW384.94 g/mol
LogP6.01
Rot. Bonds5

About 3-chloro-2-(2,6-dimethyl-8-pentylimidazo[1,2-b]pyridazin-3-yl)thieno[3,2-b]pyridine

3-chloro-2-(2,6-dimethyl-8-pentylimidazo[1,2-b]pyridazin-3-yl)thieno[3,2-b]pyridine (PubChem CID 69148849) has the molecular formula C20H21ClN4S and a molecular weight of 384.94 g/mol. Its IUPAC name is 3-chloro-2-(2,6-dimethyl-8-pentylimidazo[1,2-b]pyridazin-3-yl)thieno[3,2-b]pyridine.

Molecular Properties

Compound Name3-chloro-2-(2,6-dimethyl-8-pentylimidazo[1,2-b]pyridazin-3-yl)thieno[3,2-b]pyridine
PubChem CID69148849
Molecular FormulaC20H21ClN4S
Molecular Weight384.94 g/mol
Exact Mass384.12
IUPAC Name3-chloro-2-(2,6-dimethyl-8-pentylimidazo[1,2-b]pyridazin-3-yl)thieno[3,2-b]pyridine
SMILESCCCCCc1cc(C)nn2c(-c3sc4cccnc4c3Cl)c(C)nc12
InChIInChI=1S/C20H21ClN4S/c1-4-5-6-8-14-11-12(2)24-25-18(13(3)23-20(14)25)19-16(21)17-15(26-19)9-7-10-22-17/h7,9-11H,4-6,8H2,1-3H3
InChIKeySYUGLODVTBPBGA-UHFFFAOYSA-N
XLogP6.01
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.94
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Alk-5-IN-1
CID 24880914
N-(4-(6-chloro-3H-imidazo[4,5-b]pyridin-2-ylamino)phenethyl)thieno[3,2-d]pyrimidin-4-amine
CID 46883181
2-[[5-(1-Methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[3,2-c]pyridine
CID 53262575
2-[[5-(1-Methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine
CID 54759346
3-(6-Quinolylmethyl)-6-(2-thienyl)[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 57405873
4-(Azetidin-1-yl)-5-[5-(5-chloro-2-pyridinyl)-1-methylpyrazol-4-yl]-7-methylimidazo[5,1-f][1,2,4]triazine
CID 60163253
4-(5-Chlorothiophen-2-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
CID 74767207
2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 118525810
US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53250350
3-[1-[(5-Chlorothiophen-2-yl)methyl]piperidin-4-yl]-4,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 136980233
4-[4-[(3-Methyl-2-thienyl)-(2-pyridyl)methyl]piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine
CID 3011489
5-[1-(4-chlorophenyl)-1H-tetraazol-5-yl]-2-(2-pyridinyl)-4-(2-thienyl)pyrimidine
CID 3504805

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2,6-dimethyl-8-pentylimidazo[1,2-b]pyridazin-3-yl)thieno[3,2-b]pyridine?
The IUPAC name of 3-chloro-2-(2,6-dimethyl-8-pentylimidazo[1,2-b]pyridazin-3-yl)thieno[3,2-b]pyridine (CID 69148849) is 3-chloro-2-(2,6-dimethyl-8-pentylimidazo[1,2-b]pyridazin-3-yl)thieno[3,2-b]pyridine.
What is the SMILES notation for 3-chloro-2-(2,6-dimethyl-8-pentylimidazo[1,2-b]pyridazin-3-yl)thieno[3,2-b]pyridine?
The canonical SMILES for 3-chloro-2-(2,6-dimethyl-8-pentylimidazo[1,2-b]pyridazin-3-yl)thieno[3,2-b]pyridine is CCCCCc1cc(C)nn2c(-c3sc4cccnc4c3Cl)c(C)nc12.
What is the InChIKey of 3-chloro-2-(2,6-dimethyl-8-pentylimidazo[1,2-b]pyridazin-3-yl)thieno[3,2-b]pyridine?
The InChIKey is SYUGLODVTBPBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4S/c1-4-5-6-8-14-11-12(2)24-25-18(13(3)23-20(14)25)19-16(21)17-15(26-19)9-7-10-22-17/h7,9-11H,4-6,8H2,1-3H3.
What are the key properties of 3-chloro-2-(2,6-dimethyl-8-pentylimidazo[1,2-b]pyridazin-3-yl)thieno[3,2-b]pyridine?
3-chloro-2-(2,6-dimethyl-8-pentylimidazo[1,2-b]pyridazin-3-yl)thieno[3,2-b]pyridine has a molecular weight of 384.94 g/mol, XLogP of 6.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2,6-dimethyl-8-pentylimidazo[1,2-b]pyridazin-3-yl)thieno[3,2-b]pyridine is sourced from PubChem (CID 69148849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).