5-fluoro-2-[1-(5-fluoropyrimidin-2-yl)ethylamino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile

C16H14F2N8 — CID 67426021

IUPAC5-fluoro-2-[1-(5-fluoropyrimidin-2-yl)ethylamino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile
SMILESCc1cc(Nc2nc(NC(C)c3ncc(F)cn3)c(C#N)cc2F)n[nH]1
InChIInChI=1S/C16H14F2N8/c1-8-3-13(26-25-8)23-16-12(18)4-10(5-19)15(24-16)22-9(2)14-20-6-11(17)7-21-14/h3-4,6-7,9H,1-2H3,(H3,22,23,24,25,26)
InChIKeyACFJASVZAULCDP-UHFFFAOYSA-N
MW356.34 g/mol
LogP2.97
Rot. Bonds5

About 5-fluoro-2-[1-(5-fluoropyrimidin-2-yl)ethylamino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile

5-fluoro-2-[1-(5-fluoropyrimidin-2-yl)ethylamino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile (PubChem CID 67426021) has the molecular formula C16H14F2N8 and a molecular weight of 356.34 g/mol. Its IUPAC name is 5-fluoro-2-[1-(5-fluoropyrimidin-2-yl)ethylamino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-fluoro-2-[1-(5-fluoropyrimidin-2-yl)ethylamino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile
PubChem CID67426021
Molecular FormulaC16H14F2N8
Molecular Weight356.34 g/mol
Exact Mass356.13
IUPAC Name5-fluoro-2-[1-(5-fluoropyrimidin-2-yl)ethylamino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile
SMILESCc1cc(Nc2nc(NC(C)c3ncc(F)cn3)c(C#N)cc2F)n[nH]1
InChIInChI=1S/C16H14F2N8/c1-8-3-13(26-25-8)23-16-12(18)4-10(5-19)15(24-16)22-9(2)14-20-6-11(17)7-21-14/h3-4,6-7,9H,1-2H3,(H3,22,23,24,25,26)
InChIKeyACFJASVZAULCDP-UHFFFAOYSA-N
XLogP2.97
TPSA115.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 67426455
5-fluoro-6-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]-2-[[(1S)-1-pyridin-2-ylethyl]amino]pyridine-3-carbonitrile
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6-(2-ethylmorpholin-4-yl)-2-N-[1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
CID 143753736
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(3S)-3-(5-fluoro-2-pyridinyl)-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]propanenitrile
CID 66614048
1-[5-fluoro-6-[1-(5-fluoropyrimidin-2-yl)ethoxy]-2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]piperidine-4-carbonitrile
CID 25104722
6-chloro-4-N-[5-[2-(3-fluorophenyl)ethyl]-1H-pyrazol-3-yl]-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 87598440
2-[(5,6-dimethyl-3-pyridinyl)amino]-5-fluoro-6-(3-methylbutan-2-ylamino)pyridine-3-carbonitrile
CID 134187529
5-fluoro-2-N-[(1S)-1-(5-fluoro-2-pyridinyl)-2-methoxyethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 68947236
2-[[6-chloro-2-[[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile
CID 86644131

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-(5-fluoropyrimidin-2-yl)ethylamino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 5-fluoro-2-[1-(5-fluoropyrimidin-2-yl)ethylamino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile (CID 67426021) is 5-fluoro-2-[1-(5-fluoropyrimidin-2-yl)ethylamino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-fluoro-2-[1-(5-fluoropyrimidin-2-yl)ethylamino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-fluoro-2-[1-(5-fluoropyrimidin-2-yl)ethylamino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile is Cc1cc(Nc2nc(NC(C)c3ncc(F)cn3)c(C#N)cc2F)n[nH]1.
What is the InChIKey of 5-fluoro-2-[1-(5-fluoropyrimidin-2-yl)ethylamino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile?
The InChIKey is ACFJASVZAULCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N8/c1-8-3-13(26-25-8)23-16-12(18)4-10(5-19)15(24-16)22-9(2)14-20-6-11(17)7-21-14/h3-4,6-7,9H,1-2H3,(H3,22,23,24,25,26).
What are the key properties of 5-fluoro-2-[1-(5-fluoropyrimidin-2-yl)ethylamino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile?
5-fluoro-2-[1-(5-fluoropyrimidin-2-yl)ethylamino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile has a molecular weight of 356.34 g/mol, XLogP of 2.97, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-(5-fluoropyrimidin-2-yl)ethylamino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 67426021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).