4-(4-fluorophenyl)-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-pyrrole-2-carboxamide

C19H15FN4O2S — CID 91632372

IUPAC4-(4-fluorophenyl)-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCCn1cnc2ccsc2c1=O)c1cc(-c2ccc(F)cc2)c[nH]1
InChIInChI=1S/C19H15FN4O2S/c20-14-3-1-12(2-4-14)13-9-16(22-10-13)18(25)21-6-7-24-11-23-15-5-8-27-17(15)19(24)26/h1-5,8-11,22H,6-7H2,(H,21,25)
InChIKeyLPMYZLHIZQQDED-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.02
Rot. Bonds5

About 4-(4-fluorophenyl)-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-pyrrole-2-carboxamide

4-(4-fluorophenyl)-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 91632372) has the molecular formula C19H15FN4O2S and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-pyrrole-2-carboxamide
PubChem CID91632372
Molecular FormulaC19H15FN4O2S
Molecular Weight382.42 g/mol
Exact Mass382.09
IUPAC Name4-(4-fluorophenyl)-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCCn1cnc2ccsc2c1=O)c1cc(-c2ccc(F)cc2)c[nH]1
InChIInChI=1S/C19H15FN4O2S/c20-14-3-1-12(2-4-14)13-9-16(22-10-13)18(25)21-6-7-24-11-23-15-5-8-27-17(15)19(24)26/h1-5,8-11,22H,6-7H2,(H,21,25)
InChIKeyLPMYZLHIZQQDED-UHFFFAOYSA-N
XLogP3.02
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrrolopyridine, 13
CID 16719973
9-Deaza-9-(3-thienylmethyl)guanine
CID 135512468
Benzothienopyrimidinone deriv., 15b
CID 135927961
1-(4-fluoro-1H-indol-3-yl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 45486592
1-(4-fluoro-1H-indol-3-yl)-2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 45486615
2-[[2-[(3R)-3-aminopiperidin-1-yl]-4-oxo-7-thiophen-3-yl-5H-pyrrolo[3,2-d]pyrimidin-3-yl]methyl]-4-fluorobenzonitrile
CID 145953544
2-[[2-[(3R)-3-aminopiperidin-1-yl]-4-oxo-7-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidin-3-yl]methyl]-4-fluorobenzonitrile
CID 145973616
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-(thiophen-2-yl)nicotinamide
CID 46900403
7-Thiophen-3-ylmethyl-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135474205
2-Amino-7-thiophen-2-ylmethyl-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135535919
piperazine, 1-[2-(4-fluoro-1H-indol-3-yl)-1,2-dioxoethyl]-4-(4-thiazolylcarbonyl)-
CID 506354
4-[4-(tert-butyl)benzoyl]-N-(2-thienylmethyl)-1H-pyrrole-2-carboxamide
CID 1485098

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-pyrrole-2-carboxamide (CID 91632372) is 4-(4-fluorophenyl)-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-pyrrole-2-carboxamide is O=C(NCCn1cnc2ccsc2c1=O)c1cc(-c2ccc(F)cc2)c[nH]1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is LPMYZLHIZQQDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2S/c20-14-3-1-12(2-4-14)13-9-16(22-10-13)18(25)21-6-7-24-11-23-15-5-8-27-17(15)19(24)26/h1-5,8-11,22H,6-7H2,(H,21,25).
What are the key properties of 4-(4-fluorophenyl)-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-pyrrole-2-carboxamide?
4-(4-fluorophenyl)-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 91632372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).