(E)-3-[4-amino-3-(7-fluoro-1H-indol-5-yl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide

C19H15FN4OS — CID 18450701

IUPAC(E)-3-[4-amino-3-(7-fluoro-1H-indol-5-yl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide
SMILESCNC(=O)/C=C/c1cnc(N)c2c(-c3cc(F)c4[nH]ccc4c3)csc12
InChIInChI=1S/C19H15FN4OS/c1-22-15(25)3-2-11-8-24-19(21)16-13(9-26-18(11)16)12-6-10-4-5-23-17(10)14(20)7-12/h2-9,23H,1H3,(H2,21,24)(H,22,25)/b3-2+
InChIKeyRRMNBSNNUVLAKL-NSCUHMNNSA-N
MW366.42 g/mol
LogP3.93
Rot. Bonds3

About (E)-3-[4-amino-3-(7-fluoro-1H-indol-5-yl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide

(E)-3-[4-amino-3-(7-fluoro-1H-indol-5-yl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide (PubChem CID 18450701) has the molecular formula C19H15FN4OS and a molecular weight of 366.42 g/mol. Its IUPAC name is (E)-3-[4-amino-3-(7-fluoro-1H-indol-5-yl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-amino-3-(7-fluoro-1H-indol-5-yl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide
PubChem CID18450701
Molecular FormulaC19H15FN4OS
Molecular Weight366.42 g/mol
Exact Mass366.10
IUPAC Name(E)-3-[4-amino-3-(7-fluoro-1H-indol-5-yl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide
SMILESCNC(=O)/C=C/c1cnc(N)c2c(-c3cc(F)c4[nH]ccc4c3)csc12
InChIInChI=1S/C19H15FN4OS/c1-22-15(25)3-2-11-8-24-19(21)16-13(9-26-18(11)16)12-6-10-4-5-23-17(10)14(20)7-12/h2-9,23H,1H3,(H2,21,24)(H,22,25)/b3-2+
InChIKeyRRMNBSNNUVLAKL-NSCUHMNNSA-N
XLogP3.93
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-amino-3-(7-fluoro-1H-indol-5-yl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide?
The IUPAC name of (E)-3-[4-amino-3-(7-fluoro-1H-indol-5-yl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide (CID 18450701) is (E)-3-[4-amino-3-(7-fluoro-1H-indol-5-yl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-[4-amino-3-(7-fluoro-1H-indol-5-yl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-[4-amino-3-(7-fluoro-1H-indol-5-yl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide is CNC(=O)/C=C/c1cnc(N)c2c(-c3cc(F)c4[nH]ccc4c3)csc12.
What is the InChIKey of (E)-3-[4-amino-3-(7-fluoro-1H-indol-5-yl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide?
The InChIKey is RRMNBSNNUVLAKL-NSCUHMNNSA-N. The full InChI is InChI=1S/C19H15FN4OS/c1-22-15(25)3-2-11-8-24-19(21)16-13(9-26-18(11)16)12-6-10-4-5-23-17(10)14(20)7-12/h2-9,23H,1H3,(H2,21,24)(H,22,25)/b3-2+.
What are the key properties of (E)-3-[4-amino-3-(7-fluoro-1H-indol-5-yl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide?
(E)-3-[4-amino-3-(7-fluoro-1H-indol-5-yl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide has a molecular weight of 366.42 g/mol, XLogP of 3.93, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-amino-3-(7-fluoro-1H-indol-5-yl)thieno[3,2-c]pyridin-7-yl]-N-methylprop-2-enamide is sourced from PubChem (CID 18450701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).