[3-amino-4-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone

C21H14ClFN2OS — CID 144756244

IUPAC[3-amino-4-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone
SMILESCc1cc(-c2ccc(Cl)cc2)c2c(N)c(C(=O)c3ccc(F)cc3)sc2n1
InChIInChI=1S/C21H14ClFN2OS/c1-11-10-16(12-2-6-14(22)7-3-12)17-18(24)20(27-21(17)25-11)19(26)13-4-8-15(23)9-5-13/h2-10H,24H2,1H3
InChIKeyRTFXEKLOOYNBRE-UHFFFAOYSA-N
MW396.87 g/mol
LogP5.88
Rot. Bonds3

About [3-amino-4-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone

[3-amino-4-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone (PubChem CID 144756244) has the molecular formula C21H14ClFN2OS and a molecular weight of 396.87 g/mol. Its IUPAC name is [3-amino-4-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-amino-4-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone
PubChem CID144756244
Molecular FormulaC21H14ClFN2OS
Molecular Weight396.87 g/mol
Exact Mass396.05
IUPAC Name[3-amino-4-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone
SMILESCc1cc(-c2ccc(Cl)cc2)c2c(N)c(C(=O)c3ccc(F)cc3)sc2n1
InChIInChI=1S/C21H14ClFN2OS/c1-11-10-16(12-2-6-14(22)7-3-12)17-18(24)20(27-21(17)25-11)19(26)13-4-8-15(23)9-5-13/h2-10H,24H2,1H3
InChIKeyRTFXEKLOOYNBRE-UHFFFAOYSA-N
XLogP5.88
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.87
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridine-2-carbohydrazide
CID 10640367
[3-amino-4-[4-(dimethylamino)phenyl]-6-methylthieno[2,3-b]pyridin-2-yl]-phenylmethanone
CID 144756269
[3-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridin-2-yl]-phenylmethanone
CID 5230190
[4-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone
CID 3492281
[3-amino-4-(4-chlorophenyl)-6-[(E)-2-(4-chlorophenyl)ethenyl]thieno[2,3-b]pyridin-2-yl]-phenylmethanone
CID 10864030
1-[3-amino-4-(4-chlorophenyl)-6-methyl-2-(4-methylbenzoyl)thieno[2,3-b]pyridin-5-yl]ethanone
CID 9499494
4-[3-amino-6-(4-chlorophenyl)-4-(3-fluorophenyl)thieno[2,3-b]pyridine-2-carbonyl]-3-methyl-2H-oxadiazol-3-ium-5-one
CID 53296802
4-(4-fluorophenyl)-6-methyl-3-(propan-2-ylideneamino)thieno[2,3-b]pyridine-2-carboxylic acid
CID 110193583
3-amino-N-(5-chloro-2-methylphenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3134250
[3-amino-6-(4-methoxyphenyl)-4-(4-methylphenyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone
CID 23773333
3-amino-4-(4-bromophenyl)-N,N-diethyl-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 14510427
3-amino-4-(4-chlorophenyl)-6-(4-methylphenyl)-N-(2,4,6-trichlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3133451

Frequently Asked Questions

What is the IUPAC name of [3-amino-4-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [3-amino-4-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone (CID 144756244) is [3-amino-4-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [3-amino-4-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [3-amino-4-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone is Cc1cc(-c2ccc(Cl)cc2)c2c(N)c(C(=O)c3ccc(F)cc3)sc2n1.
What is the InChIKey of [3-amino-4-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone?
The InChIKey is RTFXEKLOOYNBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN2OS/c1-11-10-16(12-2-6-14(22)7-3-12)17-18(24)20(27-21(17)25-11)19(26)13-4-8-15(23)9-5-13/h2-10H,24H2,1H3.
What are the key properties of [3-amino-4-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone?
[3-amino-4-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone has a molecular weight of 396.87 g/mol, XLogP of 5.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 144756244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).