2-cyclobutyl-6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridine;difluoromethane

C19H18F2N4S — CID 172582581

IUPAC2-cyclobutyl-6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridine;difluoromethane
SMILESCc1nc2ncc(-c3ccc4cc(C5CCC5)sc4n3)cc2[nH]1.FCF
InChIInChI=1S/C18H16N4S.CH2F2/c1-10-20-15-7-13(9-19-17(15)21-10)14-6-5-12-8-16(11-3-2-4-11)23-18(12)22-14;2-1-3/h5-9,11H,2-4H2,1H3,(H,19,20,21);1H2
InChIKeyXUZRSJYHMPNXJU-UHFFFAOYSA-N
MW372.44 g/mol
LogP5.69
Rot. Bonds2

About 2-cyclobutyl-6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridine;difluoromethane

2-cyclobutyl-6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridine;difluoromethane (PubChem CID 172582581) has the molecular formula C19H18F2N4S and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-cyclobutyl-6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridine;difluoromethane.

Molecular Properties

Compound Name2-cyclobutyl-6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridine;difluoromethane
PubChem CID172582581
Molecular FormulaC19H18F2N4S
Molecular Weight372.44 g/mol
Exact Mass372.12
IUPAC Name2-cyclobutyl-6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridine;difluoromethane
SMILESCc1nc2ncc(-c3ccc4cc(C5CCC5)sc4n3)cc2[nH]1.FCF
InChIInChI=1S/C18H16N4S.CH2F2/c1-10-20-15-7-13(9-19-17(15)21-10)14-6-5-12-8-16(11-3-2-4-11)23-18(12)22-14;2-1-3/h5-9,11H,2-4H2,1H3,(H,19,20,21);1H2
InChIKeyXUZRSJYHMPNXJU-UHFFFAOYSA-N
XLogP5.69
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.44
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclobutyl-6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridine;methanol
CID 172582685
6-[5-(difluoromethyl)thiophen-3-yl]-2-methyl-1H-imidazo[4,5-b]pyridine
CID 166366465
6-[4-(2-methoxyethoxy)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine
CID 72927700
N,N-dimethyl-5-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)pyridin-2-amine
CID 122567575
2-(2-methoxycyclobutyl)-6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridine
CID 172582490
2-methyl-6-[4-(2-piperidin-1-ylethyl)phenyl]-1H-imidazo[4,5-b]pyridine
CID 167786191
6-chloro-2-methyl-1H-imidazo[4,5-b]pyridine
CID 18526616
2-methyl-6-(2,3,4,5-tetrahydro-1-benzoxepin-7-yl)-1H-imidazo[4,5-b]pyridine
CID 67717428
6-cyclobutyl-2-(2-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-d]pyrimidine
CID 172582732
2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)ethanamine
CID 59533509
(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)hydrazine
CID 45120675
N-[[1-(methoxymethyl)cyclopentyl]methyl]-3-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)benzamide
CID 122572829

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridine;difluoromethane?
The IUPAC name of 2-cyclobutyl-6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridine;difluoromethane (CID 172582581) is 2-cyclobutyl-6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridine;difluoromethane.
What is the SMILES notation for 2-cyclobutyl-6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridine;difluoromethane?
The canonical SMILES for 2-cyclobutyl-6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridine;difluoromethane is Cc1nc2ncc(-c3ccc4cc(C5CCC5)sc4n3)cc2[nH]1.FCF.
What is the InChIKey of 2-cyclobutyl-6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridine;difluoromethane?
The InChIKey is XUZRSJYHMPNXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4S.CH2F2/c1-10-20-15-7-13(9-19-17(15)21-10)14-6-5-12-8-16(11-3-2-4-11)23-18(12)22-14;2-1-3/h5-9,11H,2-4H2,1H3,(H,19,20,21);1H2.
What are the key properties of 2-cyclobutyl-6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridine;difluoromethane?
2-cyclobutyl-6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridine;difluoromethane has a molecular weight of 372.44 g/mol, XLogP of 5.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridine;difluoromethane is sourced from PubChem (CID 172582581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).