3-[2-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one

C19H14N4O3S2 — CID 42004658

About 3-[2-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one

3-[2-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 42004658) has the molecular formula C19H14N4O3S2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 3-[2-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 3-[2-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
• PubChem CID: 42004658
• Molecular Formula: C19H14N4O3S2
• Molecular Weight: 410.48 g/mol
• Exact Mass: 410.05
• IUPAC Name: 3-[2-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
• SMILES: O=C(Cn1cnc2sccc2c1=O)N1N=C(c2cccs2)C[C@H]1c1ccco1
• InChI: InChI=1S/C19H14N4O3S2/c24-17(10-22-11-20-18-12(19(22)25)5-8-28-18)23-14(15-3-1-6-26-15)9-13(21-23)16-4-2-7-27-16/h1-8,11,14H,9-10H2/t14-/m0/s1
• InChIKey: FMHBGUPRMIZSES-AWEZNQCLSA-N
• XLogP: 3.49
• TPSA: 80.70 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.48
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one?

The IUPAC name of 3-[2-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one (CID 42004658) is 3-[2-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one.

What is the SMILES notation for 3-[2-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one?

The canonical SMILES for 3-[2-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one is O=C(Cn1cnc2sccc2c1=O)N1N=C(c2cccs2)C[C@H]1c1ccco1.

What is the InChIKey of 3-[2-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one?

The InChIKey is FMHBGUPRMIZSES-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H14N4O3S2/c24-17(10-22-11-20-18-12(19(22)25)5-8-28-18)23-14(15-3-1-6-26-15)9-13(21-23)16-4-2-7-27-16/h1-8,11,14H,9-10H2/t14-/m0/s1.

What are the key properties of 3-[2-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one?

3-[2-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 410.48 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 42004658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).