5-fluoro-6-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]-2-[[(1S)-1-pyridin-2-ylethyl]amino]pyridine-3-carbonitrile

C19H20FN7O — CID 24779787

About 5-fluoro-6-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]-2-[[(1S)-1-pyridin-2-ylethyl]amino]pyridine-3-carbonitrile

5-fluoro-6-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]-2-[[(1S)-1-pyridin-2-ylethyl]amino]pyridine-3-carbonitrile (PubChem CID 24779787) has the molecular formula C19H20FN7O and a molecular weight of 381.42 g/mol. Its IUPAC name is 5-fluoro-6-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]-2-[[(1S)-1-pyridin-2-ylethyl]amino]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 5-fluoro-6-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]-2-[[(1S)-1-pyridin-2-ylethyl]amino]pyridine-3-carbonitrile
• PubChem CID: 24779787
• Molecular Formula: C19H20FN7O
• Molecular Weight: 381.42 g/mol
• Exact Mass: 381.17
• IUPAC Name: 5-fluoro-6-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]-2-[[(1S)-1-pyridin-2-ylethyl]amino]pyridine-3-carbonitrile
• SMILES: CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccccn3)c(C#N)cc2F)[nH]n1
• InChI: InChI=1S/C19H20FN7O/c1-11(2)28-17-9-16(26-27-17)24-19-14(20)8-13(10-21)18(25-19)23-12(3)15-6-4-5-7-22-15/h4-9,11-12H,1-3H3,(H3,23,24,25,26,27)/t12-/m0/s1
• InChIKey: FBGYELHPUAKCLM-LBPRGKRZSA-N
• XLogP: 3.91
• TPSA: 111.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.42
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]-2-[[(1S)-1-pyridin-2-ylethyl]amino]pyridine-3-carbonitrile?

The IUPAC name of 5-fluoro-6-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]-2-[[(1S)-1-pyridin-2-ylethyl]amino]pyridine-3-carbonitrile (CID 24779787) is 5-fluoro-6-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]-2-[[(1S)-1-pyridin-2-ylethyl]amino]pyridine-3-carbonitrile.

What is the SMILES notation for 5-fluoro-6-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]-2-[[(1S)-1-pyridin-2-ylethyl]amino]pyridine-3-carbonitrile?

The canonical SMILES for 5-fluoro-6-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]-2-[[(1S)-1-pyridin-2-ylethyl]amino]pyridine-3-carbonitrile is CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccccn3)c(C#N)cc2F)[nH]n1.

What is the InChIKey of 5-fluoro-6-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]-2-[[(1S)-1-pyridin-2-ylethyl]amino]pyridine-3-carbonitrile?

The InChIKey is FBGYELHPUAKCLM-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H20FN7O/c1-11(2)28-17-9-16(26-27-17)24-19-14(20)8-13(10-21)18(25-19)23-12(3)15-6-4-5-7-22-15/h4-9,11-12H,1-3H3,(H3,23,24,25,26,27)/t12-/m0/s1.

What are the key properties of 5-fluoro-6-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]-2-[[(1S)-1-pyridin-2-ylethyl]amino]pyridine-3-carbonitrile?

5-fluoro-6-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]-2-[[(1S)-1-pyridin-2-ylethyl]amino]pyridine-3-carbonitrile has a molecular weight of 381.42 g/mol, XLogP of 3.91, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-6-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]-2-[[(1S)-1-pyridin-2-ylethyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 24779787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).