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

C19H17F2N7O — CID 166147935

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

5-[[5-[6-[(1R,3S)-3-aminocyclopentyl]oxy-2,3-difluorophenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 166147935) has the molecular formula C19H17F2N7O and a molecular weight of 397.39 g/mol. Its IUPAC name is 5-[[5-[6-[(1R,3S)-3-aminocyclopentyl]oxy-2,3-difluorophenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[[5-[6-[(1R,3S)-3-aminocyclopentyl]oxy-2,3-difluorophenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
• PubChem CID: 166147935
• Molecular Formula: C19H17F2N7O
• Molecular Weight: 397.39 g/mol
• Exact Mass: 397.15
• IUPAC Name: 5-[[5-[6-[(1R,3S)-3-aminocyclopentyl]oxy-2,3-difluorophenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
• SMILES: N#Cc1cnc(Nc2cc(-c3c(O[C@@H]4CC[C@H](N)C4)ccc(F)c3F)[nH]n2)cn1
• InChI: InChI=1S/C19H17F2N7O/c20-13-3-4-15(29-12-2-1-10(23)5-12)18(19(13)21)14-6-16(28-27-14)26-17-9-24-11(7-22)8-25-17/h3-4,6,8-10,12H,1-2,5,23H2,(H2,25,26,27,28)/t10-,12+/m0/s1
• InChIKey: FGLVKPMRBIVVPH-CMPLNLGQSA-N
• XLogP: 3.02
• TPSA: 125.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.39
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[[5-[6-[(1R,3S)-3-aminocyclopentyl]oxy-2,3-difluorophenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (CID 166147935) is 5-[[5-[6-[(1R,3S)-3-aminocyclopentyl]oxy-2,3-difluorophenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.

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

The canonical SMILES for 5-[[5-[6-[(1R,3S)-3-aminocyclopentyl]oxy-2,3-difluorophenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is N#Cc1cnc(Nc2cc(-c3c(O[C@@H]4CC[C@H](N)C4)ccc(F)c3F)[nH]n2)cn1.

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

The InChIKey is FGLVKPMRBIVVPH-CMPLNLGQSA-N. The full InChI is InChI=1S/C19H17F2N7O/c20-13-3-4-15(29-12-2-1-10(23)5-12)18(19(13)21)14-6-16(28-27-14)26-17-9-24-11(7-22)8-25-17/h3-4,6,8-10,12H,1-2,5,23H2,(H2,25,26,27,28)/t10-,12+/m0/s1.

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

5-[[5-[6-[(1R,3S)-3-aminocyclopentyl]oxy-2,3-difluorophenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 397.39 g/mol, XLogP of 3.02, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-[6-[(1R,3S)-3-aminocyclopentyl]oxy-2,3-difluorophenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 166147935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).