5-fluoro-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1H-indole-2-carboxamide

C17H13FN4O2S — CID 137278210

IUPAC5-fluoro-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1H-indole-2-carboxamide
SMILESCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C17H13FN4O2S/c1-22(8-14-20-12-4-5-25-15(12)16(23)21-14)17(24)13-7-9-6-10(18)2-3-11(9)19-13/h2-7,19H,8H2,1H3,(H,20,21,23)
InChIKeyGWDLFXRUNUFAOV-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.88
Rot. Bonds3

About 5-fluoro-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1H-indole-2-carboxamide

5-fluoro-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1H-indole-2-carboxamide (PubChem CID 137278210) has the molecular formula C17H13FN4O2S and a molecular weight of 356.38 g/mol. Its IUPAC name is 5-fluoro-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1H-indole-2-carboxamide
PubChem CID137278210
Molecular FormulaC17H13FN4O2S
Molecular Weight356.38 g/mol
Exact Mass356.07
IUPAC Name5-fluoro-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1H-indole-2-carboxamide
SMILESCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C17H13FN4O2S/c1-22(8-14-20-12-4-5-25-15(12)16(23)21-14)17(24)13-7-9-6-10(18)2-3-11(9)19-13/h2-7,19H,8H2,1H3,(H,20,21,23)
InChIKeyGWDLFXRUNUFAOV-UHFFFAOYSA-N
XLogP2.88
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-fluoro-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1H-indole-2-carboxamide (CID 137278210) is 5-fluoro-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-fluoro-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1H-indole-2-carboxamide is CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of 5-fluoro-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1H-indole-2-carboxamide?
The InChIKey is GWDLFXRUNUFAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O2S/c1-22(8-14-20-12-4-5-25-15(12)16(23)21-14)17(24)13-7-9-6-10(18)2-3-11(9)19-13/h2-7,19H,8H2,1H3,(H,20,21,23).
What are the key properties of 5-fluoro-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1H-indole-2-carboxamide?
5-fluoro-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1H-indole-2-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 137278210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).