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

IUPAC5-fluoro-6-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]-2-[[(1S)-1-pyridin-2-ylethyl]amino]pyridine-3-carbonitrile
SMILESCC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccccn3)c(C#N)cc2F)[nH]n1
InChIInChI=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
InChIKeyFBGYELHPUAKCLM-LBPRGKRZSA-N
MW381.42 g/mol
LogP3.91
Rot. Bonds7

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 Name5-fluoro-6-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]-2-[[(1S)-1-pyridin-2-ylethyl]amino]pyridine-3-carbonitrile
PubChem CID24779787
Molecular FormulaC19H20FN7O
Molecular Weight381.42 g/mol
Exact Mass381.17
IUPAC Name5-fluoro-6-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]-2-[[(1S)-1-pyridin-2-ylethyl]amino]pyridine-3-carbonitrile
SMILESCC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccccn3)c(C#N)cc2F)[nH]n1
InChIInChI=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
InChIKeyFBGYELHPUAKCLM-LBPRGKRZSA-N
XLogP3.91
TPSA111.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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).