7-chloro-2-[6-(2,5-dimethylpyrrol-1-yl)-2-methyl-3-pyridinyl]thieno[3,2-b]pyridine

C19H16ClN3S — CID 18382752

IUPAC7-chloro-2-[6-(2,5-dimethylpyrrol-1-yl)-2-methyl-3-pyridinyl]thieno[3,2-b]pyridine
SMILESCc1nc(-n2c(C)ccc2C)ccc1-c1cc2nccc(Cl)c2s1
InChIInChI=1S/C19H16ClN3S/c1-11-4-5-12(2)23(11)18-7-6-14(13(3)22-18)17-10-16-19(24-17)15(20)8-9-21-16/h4-10H,1-3H3
InChIKeyOFSNMVXAGPOBDU-UHFFFAOYSA-N
MW353.88 g/mol
LogP5.73
Rot. Bonds2

About 7-chloro-2-[6-(2,5-dimethylpyrrol-1-yl)-2-methyl-3-pyridinyl]thieno[3,2-b]pyridine

7-chloro-2-[6-(2,5-dimethylpyrrol-1-yl)-2-methyl-3-pyridinyl]thieno[3,2-b]pyridine (PubChem CID 18382752) has the molecular formula C19H16ClN3S and a molecular weight of 353.88 g/mol. Its IUPAC name is 7-chloro-2-[6-(2,5-dimethylpyrrol-1-yl)-2-methyl-3-pyridinyl]thieno[3,2-b]pyridine.

Molecular Properties

Compound Name7-chloro-2-[6-(2,5-dimethylpyrrol-1-yl)-2-methyl-3-pyridinyl]thieno[3,2-b]pyridine
PubChem CID18382752
Molecular FormulaC19H16ClN3S
Molecular Weight353.88 g/mol
Exact Mass353.08
IUPAC Name7-chloro-2-[6-(2,5-dimethylpyrrol-1-yl)-2-methyl-3-pyridinyl]thieno[3,2-b]pyridine
SMILESCc1nc(-n2c(C)ccc2C)ccc1-c1cc2nccc(Cl)c2s1
InChIInChI=1S/C19H16ClN3S/c1-11-4-5-12(2)23(11)18-7-6-14(13(3)22-18)17-10-16-19(24-17)15(20)8-9-21-16/h4-10H,1-3H3
InChIKeyOFSNMVXAGPOBDU-UHFFFAOYSA-N
XLogP5.73
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.88
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Analyze 7-chloro-2-[6-(2,5-dimethylpyrrol-1-yl)-2-methyl-3-pyridinyl]thieno[3,2-b]pyridine with MolForge

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Related Compounds

S-21007
CID 9863146
5-[(5-Chloro-2-thienyl)methyl]-2-phenyl-5h-imidazo[4,5-c]pyridine
CID 10064916
8-(4-Benzylpiperazin-1-yl)-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 10247171
8-[4-[(2,4-Dichlorophenyl)methyl]piperazin-1-yl]-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
CID 10645615
11,13-Dimethyl-6-pyrrolidin-1-yl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 141760870
8-(4-Benzyl-4-methylpiperazin-4-ium-1-yl)-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
CID 10719857
8-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
CID 10833258
3-[(5-chlorothien-2-yl)sulfonyl]-1-(1-methylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 44435652
3-(5-Chlorothiophen-2-yl)sulfonyl-1-(1-ethylpiperidin-3-yl)pyrrolo[2,3-b]pyridine
CID 44435653
2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)thieno[3,2-c]pyridin-4-amine
CID 44528535
2-[(3-Chlorophenyl)sulfonylmethyl]-4-(3-pyridyl)thieno[3,2-d]pyrimidine
CID 118720098
2-[(3-Chlorophenyl)sulfonylmethyl]-4-(4-pyridyl)thieno[3,2-d]pyrimidine
CID 118720099

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[6-(2,5-dimethylpyrrol-1-yl)-2-methyl-3-pyridinyl]thieno[3,2-b]pyridine?
The IUPAC name of 7-chloro-2-[6-(2,5-dimethylpyrrol-1-yl)-2-methyl-3-pyridinyl]thieno[3,2-b]pyridine (CID 18382752) is 7-chloro-2-[6-(2,5-dimethylpyrrol-1-yl)-2-methyl-3-pyridinyl]thieno[3,2-b]pyridine.
What is the SMILES notation for 7-chloro-2-[6-(2,5-dimethylpyrrol-1-yl)-2-methyl-3-pyridinyl]thieno[3,2-b]pyridine?
The canonical SMILES for 7-chloro-2-[6-(2,5-dimethylpyrrol-1-yl)-2-methyl-3-pyridinyl]thieno[3,2-b]pyridine is Cc1nc(-n2c(C)ccc2C)ccc1-c1cc2nccc(Cl)c2s1.
What is the InChIKey of 7-chloro-2-[6-(2,5-dimethylpyrrol-1-yl)-2-methyl-3-pyridinyl]thieno[3,2-b]pyridine?
The InChIKey is OFSNMVXAGPOBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3S/c1-11-4-5-12(2)23(11)18-7-6-14(13(3)22-18)17-10-16-19(24-17)15(20)8-9-21-16/h4-10H,1-3H3.
What are the key properties of 7-chloro-2-[6-(2,5-dimethylpyrrol-1-yl)-2-methyl-3-pyridinyl]thieno[3,2-b]pyridine?
7-chloro-2-[6-(2,5-dimethylpyrrol-1-yl)-2-methyl-3-pyridinyl]thieno[3,2-b]pyridine has a molecular weight of 353.88 g/mol, XLogP of 5.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[6-(2,5-dimethylpyrrol-1-yl)-2-methyl-3-pyridinyl]thieno[3,2-b]pyridine is sourced from PubChem (CID 18382752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).