5-[[5-[2-[(1R,3S)-3-aminocyclopentyl]oxy-6-cyclobutyloxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

C23H25N7O2 — CID 167335278

About 5-[[5-[2-[(1R,3S)-3-aminocyclopentyl]oxy-6-cyclobutyloxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

5-[[5-[2-[(1R,3S)-3-aminocyclopentyl]oxy-6-cyclobutyloxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 167335278) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 5-[[5-[2-[(1R,3S)-3-aminocyclopentyl]oxy-6-cyclobutyloxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[[5-[2-[(1R,3S)-3-aminocyclopentyl]oxy-6-cyclobutyloxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
• PubChem CID: 167335278
• Molecular Formula: C23H25N7O2
• Molecular Weight: 431.50 g/mol
• Exact Mass: 431.21
• IUPAC Name: 5-[[5-[2-[(1R,3S)-3-aminocyclopentyl]oxy-6-cyclobutyloxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
• SMILES: N#Cc1cnc(Nc2cc(-c3c(OC4CCC4)cccc3O[C@@H]3CC[C@H](N)C3)[nH]n2)cn1
• InChI: InChI=1S/C23H25N7O2/c24-11-15-12-27-22(13-26-15)28-21-10-18(29-30-21)23-19(31-16-3-1-4-16)5-2-6-20(23)32-17-8-7-14(25)9-17/h2,5-6,10,12-14,16-17H,1,3-4,7-9,25H2,(H2,27,28,29,30)/t14-,17+/m0/s1
• InChIKey: GZTIMLABKNOISL-WMLDXEAASA-N
• XLogP: 3.67
• TPSA: 134.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.50
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[2-[(1R,3S)-3-aminocyclopentyl]oxy-6-cyclobutyloxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?

The IUPAC name of 5-[[5-[2-[(1R,3S)-3-aminocyclopentyl]oxy-6-cyclobutyloxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (CID 167335278) is 5-[[5-[2-[(1R,3S)-3-aminocyclopentyl]oxy-6-cyclobutyloxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.

What is the SMILES notation for 5-[[5-[2-[(1R,3S)-3-aminocyclopentyl]oxy-6-cyclobutyloxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?

The canonical SMILES for 5-[[5-[2-[(1R,3S)-3-aminocyclopentyl]oxy-6-cyclobutyloxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is N#Cc1cnc(Nc2cc(-c3c(OC4CCC4)cccc3O[C@@H]3CC[C@H](N)C3)[nH]n2)cn1.

What is the InChIKey of 5-[[5-[2-[(1R,3S)-3-aminocyclopentyl]oxy-6-cyclobutyloxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?

The InChIKey is GZTIMLABKNOISL-WMLDXEAASA-N. The full InChI is InChI=1S/C23H25N7O2/c24-11-15-12-27-22(13-26-15)28-21-10-18(29-30-21)23-19(31-16-3-1-4-16)5-2-6-20(23)32-17-8-7-14(25)9-17/h2,5-6,10,12-14,16-17H,1,3-4,7-9,25H2,(H2,27,28,29,30)/t14-,17+/m0/s1.

What are the key properties of 5-[[5-[2-[(1R,3S)-3-aminocyclopentyl]oxy-6-cyclobutyloxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?

5-[[5-[2-[(1R,3S)-3-aminocyclopentyl]oxy-6-cyclobutyloxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 431.50 g/mol, XLogP of 3.67, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-[2-[(1R,3S)-3-aminocyclopentyl]oxy-6-cyclobutyloxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 167335278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).