5-fluoro-2-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile

C17H15F2N7 — CID 53232451

IUPAC5-fluoro-2-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile
SMILESCc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)c(C#N)cc2F)n[nH]1
InChIInChI=1S/C17H15F2N7/c1-9-5-15(26-25-9)23-17-13(19)6-11(7-20)16(24-17)22-10(2)14-4-3-12(18)8-21-14/h3-6,8,10H,1-2H3,(H3,22,23,24,25,26)/t10-/m0/s1
InChIKeyHIHOEGPXVVKJPP-JTQLQIEISA-N
MW355.35 g/mol
LogP3.57
Rot. Bonds5

About 5-fluoro-2-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile

5-fluoro-2-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile (PubChem CID 53232451) has the molecular formula C17H15F2N7 and a molecular weight of 355.35 g/mol. Its IUPAC name is 5-fluoro-2-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-fluoro-2-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile
PubChem CID53232451
Molecular FormulaC17H15F2N7
Molecular Weight355.35 g/mol
Exact Mass355.14
IUPAC Name5-fluoro-2-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile
SMILESCc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)c(C#N)cc2F)n[nH]1
InChIInChI=1S/C17H15F2N7/c1-9-5-15(26-25-9)23-17-13(19)6-11(7-20)16(24-17)22-10(2)14-4-3-12(18)8-21-14/h3-6,8,10H,1-2H3,(H3,22,23,24,25,26)/t10-/m0/s1
InChIKeyHIHOEGPXVVKJPP-JTQLQIEISA-N
XLogP3.57
TPSA102.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-2-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile with MolForge

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Related Compounds

AZ-960
CID 25099184
Izencitinib
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CID 56973548
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CID 16097528
Isopropyl-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)[2,4'']bipyridinyl-2''-yl]amine
CID 46899553
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CID 66559551
4-[2-[(6-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)methylamino]-4-pyridinyl]-3-methylbenzonitrile
CID 66559554
Plk4-IN-4
CID 168279678
[4-({4-[(5-Cyclopropyl-1h-Pyrazol-3-Yl)amino]pyrimidin-2-Yl}amino)phenyl]acetonitrile
CID 45111332

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 5-fluoro-2-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile (CID 53232451) is 5-fluoro-2-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-fluoro-2-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-fluoro-2-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile is Cc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)c(C#N)cc2F)n[nH]1.
What is the InChIKey of 5-fluoro-2-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile?
The InChIKey is HIHOEGPXVVKJPP-JTQLQIEISA-N. The full InChI is InChI=1S/C17H15F2N7/c1-9-5-15(26-25-9)23-17-13(19)6-11(7-20)16(24-17)22-10(2)14-4-3-12(18)8-21-14/h3-6,8,10H,1-2H3,(H3,22,23,24,25,26)/t10-/m0/s1.
What are the key properties of 5-fluoro-2-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile?
5-fluoro-2-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile has a molecular weight of 355.35 g/mol, XLogP of 3.57, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 53232451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).