N-[2-[(7S)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]furan-2-carboxamide

C19H22N4O2S — CID 124812217

About N-[2-[(7S)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]furan-2-carboxamide

N-[2-[(7S)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]furan-2-carboxamide (PubChem CID 124812217) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[2-[(7S)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(7S)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]furan-2-carboxamide
• PubChem CID: 124812217
• Molecular Formula: C19H22N4O2S
• Molecular Weight: 370.48 g/mol
• Exact Mass: 370.15
• IUPAC Name: N-[2-[(7S)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]furan-2-carboxamide
• SMILES: Cc1ccc(CN2Cc3ccnn3[C@@H](CCNC(=O)c3ccco3)C2)s1
• InChI: InChI=1S/C19H22N4O2S/c1-14-4-5-17(26-14)13-22-11-15(23-16(12-22)7-9-21-23)6-8-20-19(24)18-3-2-10-25-18/h2-5,7,9-10,15H,6,8,11-13H2,1H3,(H,20,24)/t15-/m0/s1
• InChIKey: DEFXRJRVCNZXAR-HNNXBMFYSA-N
• XLogP: 3.22
• TPSA: 63.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.48
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[(7S)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]furan-2-carboxamide?

The IUPAC name of N-[2-[(7S)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]furan-2-carboxamide (CID 124812217) is N-[2-[(7S)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]furan-2-carboxamide.

What is the SMILES notation for N-[2-[(7S)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]furan-2-carboxamide?

The canonical SMILES for N-[2-[(7S)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]furan-2-carboxamide is Cc1ccc(CN2Cc3ccnn3[C@@H](CCNC(=O)c3ccco3)C2)s1.

What is the InChIKey of N-[2-[(7S)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]furan-2-carboxamide?

The InChIKey is DEFXRJRVCNZXAR-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-14-4-5-17(26-14)13-22-11-15(23-16(12-22)7-9-21-23)6-8-20-19(24)18-3-2-10-25-18/h2-5,7,9-10,15H,6,8,11-13H2,1H3,(H,20,24)/t15-/m0/s1.

What are the key properties of N-[2-[(7S)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]furan-2-carboxamide?

N-[2-[(7S)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]furan-2-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(7S)-5-[(5-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 124812217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).