5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]pyrazine-2-carbonitrile

C18H17FN8 — CID 25171876

About 5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]pyrazine-2-carbonitrile

5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]pyrazine-2-carbonitrile (PubChem CID 25171876) has the molecular formula C18H17FN8 and a molecular weight of 364.39 g/mol. Its IUPAC name is 5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]pyrazine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]pyrazine-2-carbonitrile
• PubChem CID: 25171876
• Molecular Formula: C18H17FN8
• Molecular Weight: 364.39 g/mol
• Exact Mass: 364.16
• IUPAC Name: 5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]pyrazine-2-carbonitrile
• SMILES: C[C@H](Nc1nc(Nc2cc(C3CC3)[nH]n2)cnc1C#N)c1ccc(F)cn1
• InChI: InChI=1S/C18H17FN8/c1-10(13-5-4-12(19)8-21-13)23-18-15(7-20)22-9-17(25-18)24-16-6-14(26-27-16)11-2-3-11/h4-6,8-11H,2-3H2,1H3,(H3,23,24,25,26,27)/t10-/m0/s1
• InChIKey: XRMZZVRXPFSXIR-JTQLQIEISA-N
• XLogP: 3.40
• TPSA: 115.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.39
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]pyrazine-2-carbonitrile?

The IUPAC name of 5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]pyrazine-2-carbonitrile (CID 25171876) is 5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]pyrazine-2-carbonitrile.

What is the SMILES notation for 5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]pyrazine-2-carbonitrile?

The canonical SMILES for 5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]pyrazine-2-carbonitrile is C[C@H](Nc1nc(Nc2cc(C3CC3)[nH]n2)cnc1C#N)c1ccc(F)cn1.

What is the InChIKey of 5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]pyrazine-2-carbonitrile?

The InChIKey is XRMZZVRXPFSXIR-JTQLQIEISA-N. The full InChI is InChI=1S/C18H17FN8/c1-10(13-5-4-12(19)8-21-13)23-18-15(7-20)22-9-17(25-18)24-16-6-14(26-27-16)11-2-3-11/h4-6,8-11H,2-3H2,1H3,(H3,23,24,25,26,27)/t10-/m0/s1.

What are the key properties of 5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]pyrazine-2-carbonitrile?

5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]pyrazine-2-carbonitrile has a molecular weight of 364.39 g/mol, XLogP of 3.40, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-3-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 25171876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).