3-[4-amino-3-(4-fluorophenyl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide

C17H14FN3OS — CID 68676787

IUPAC3-[4-amino-3-(4-fluorophenyl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide
SMILESCNC(=O)C=Cc1cnc(N)c2c(-c3ccc(F)cc3)csc12
InChIInChI=1S/C17H14FN3OS/c1-20-14(22)7-4-11-8-21-17(19)15-13(9-23-16(11)15)10-2-5-12(18)6-3-10/h2-9H,1H3,(H2,19,21)(H,20,22)
InChIKeyNPFQGFITODOECX-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.44
Rot. Bonds3

About 3-[4-amino-3-(4-fluorophenyl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide

3-[4-amino-3-(4-fluorophenyl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide (PubChem CID 68676787) has the molecular formula C17H14FN3OS and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-[4-amino-3-(4-fluorophenyl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name3-[4-amino-3-(4-fluorophenyl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide
PubChem CID68676787
Molecular FormulaC17H14FN3OS
Molecular Weight327.38 g/mol
Exact Mass327.08
IUPAC Name3-[4-amino-3-(4-fluorophenyl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide
SMILESCNC(=O)C=Cc1cnc(N)c2c(-c3ccc(F)cc3)csc12
InChIInChI=1S/C17H14FN3OS/c1-20-14(22)7-4-11-8-21-17(19)15-13(9-23-16(11)15)10-2-5-12(18)6-3-10/h2-9H,1H3,(H2,19,21)(H,20,22)
InChIKeyNPFQGFITODOECX-UHFFFAOYSA-N
XLogP3.44
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

7-Amino-4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-carboxamide
CID 25218756
4-Amino-N-methyl-2-phenylthieno[3,2-c]pyridine-7-carboxamide
CID 10107882
(E)-3-[4-amino-3-[4-[(3-methylphenyl)carbamoylamino]phenyl]thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide
CID 18450585
1-(3-(4-Aminothieno[3,2-c]pyridin-3-yl)phenyl)-3-m-tolylurea
CID 18450928
1-(4-(4-Aminothieno[3,2-c]pyridin-3-yl)phenyl)-3-(3-fluorophenyl)urea
CID 18451372
1-(4-(4-Aminothieno[3,2-c]pyridin-3-yl)phenyl)-3-p-tolylurea
CID 18451383
1-(4-(4-Aminothieno[3,2-c]pyridin-3-yl)phenyl)-3-cyclohexylurea
CID 18451385
1-(4-(4-Aminothieno[3,2-c]pyridin-3-yl)phenyl)-3-cyclopentylurea
CID 18451386
(E)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-(2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide
CID 24891510
4-Amino-N-methyl-2-(p-tolyl)thieno[3,2-c]pyridine-7-carboxamide
CID 56925455
4-amino-2-(4-tert-butylphenyl)-N-methylthieno[3,2-c]pyridine-7-carboxamide
CID 56925456
3-[4-amino-3-[4-[(3-methylphenyl)carbamoylamino]phenyl]thieno[3,2-c]pyridin-7-yl]-N-[2-(diethylamino)ethyl]prop-2-enamide
CID 49830364

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-3-(4-fluorophenyl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide?
The IUPAC name of 3-[4-amino-3-(4-fluorophenyl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide (CID 68676787) is 3-[4-amino-3-(4-fluorophenyl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide.
What is the SMILES notation for 3-[4-amino-3-(4-fluorophenyl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide?
The canonical SMILES for 3-[4-amino-3-(4-fluorophenyl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide is CNC(=O)C=Cc1cnc(N)c2c(-c3ccc(F)cc3)csc12.
What is the InChIKey of 3-[4-amino-3-(4-fluorophenyl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide?
The InChIKey is NPFQGFITODOECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3OS/c1-20-14(22)7-4-11-8-21-17(19)15-13(9-23-16(11)15)10-2-5-12(18)6-3-10/h2-9H,1H3,(H2,19,21)(H,20,22).
What are the key properties of 3-[4-amino-3-(4-fluorophenyl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide?
3-[4-amino-3-(4-fluorophenyl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide has a molecular weight of 327.38 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-3-(4-fluorophenyl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide is sourced from PubChem (CID 68676787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).