5-[[(3-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yl-2-pyridinyl)amino]methyl]-2-(2-methyl-4-pyridinyl)pyridine-3-carbonitrile

C24H17FN8 — CID 129033419

IUPAC5-[[(3-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yl-2-pyridinyl)amino]methyl]-2-(2-methyl-4-pyridinyl)pyridine-3-carbonitrile
SMILESCc1cc(-c2ncc(CNc3nccc(-c4ccn5nccc5n4)c3F)cc2C#N)ccn1
InChIInChI=1S/C24H17FN8/c1-15-10-17(2-6-27-15)23-18(12-26)11-16(13-29-23)14-30-24-22(25)19(3-7-28-24)20-5-9-33-21(32-20)4-8-31-33/h2-11,13H,14H2,1H3,(H,28,30)
InChIKeySJLKASJVAXUKHR-UHFFFAOYSA-N
MW436.45 g/mol
LogP4.18
Rot. Bonds5

About 5-[[(3-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yl-2-pyridinyl)amino]methyl]-2-(2-methyl-4-pyridinyl)pyridine-3-carbonitrile

5-[[(3-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yl-2-pyridinyl)amino]methyl]-2-(2-methyl-4-pyridinyl)pyridine-3-carbonitrile (PubChem CID 129033419) has the molecular formula C24H17FN8 and a molecular weight of 436.45 g/mol. Its IUPAC name is 5-[[(3-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yl-2-pyridinyl)amino]methyl]-2-(2-methyl-4-pyridinyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[[(3-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yl-2-pyridinyl)amino]methyl]-2-(2-methyl-4-pyridinyl)pyridine-3-carbonitrile
PubChem CID129033419
Molecular FormulaC24H17FN8
Molecular Weight436.45 g/mol
Exact Mass436.16
IUPAC Name5-[[(3-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yl-2-pyridinyl)amino]methyl]-2-(2-methyl-4-pyridinyl)pyridine-3-carbonitrile
SMILESCc1cc(-c2ncc(CNc3nccc(-c4ccn5nccc5n4)c3F)cc2C#N)ccn1
InChIInChI=1S/C24H17FN8/c1-15-10-17(2-6-27-15)23-18(12-26)11-16(13-29-23)14-30-24-22(25)19(3-7-28-24)20-5-9-33-21(32-20)4-8-31-33/h2-11,13H,14H2,1H3,(H,28,30)
InChIKeySJLKASJVAXUKHR-UHFFFAOYSA-N
XLogP4.18
TPSA104.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yl-2-pyridinyl)amino]methyl]-2-(2-methyl-4-pyridinyl)pyridine-3-carbonitrile?
The IUPAC name of 5-[[(3-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yl-2-pyridinyl)amino]methyl]-2-(2-methyl-4-pyridinyl)pyridine-3-carbonitrile (CID 129033419) is 5-[[(3-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yl-2-pyridinyl)amino]methyl]-2-(2-methyl-4-pyridinyl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-[[(3-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yl-2-pyridinyl)amino]methyl]-2-(2-methyl-4-pyridinyl)pyridine-3-carbonitrile?
The canonical SMILES for 5-[[(3-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yl-2-pyridinyl)amino]methyl]-2-(2-methyl-4-pyridinyl)pyridine-3-carbonitrile is Cc1cc(-c2ncc(CNc3nccc(-c4ccn5nccc5n4)c3F)cc2C#N)ccn1.
What is the InChIKey of 5-[[(3-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yl-2-pyridinyl)amino]methyl]-2-(2-methyl-4-pyridinyl)pyridine-3-carbonitrile?
The InChIKey is SJLKASJVAXUKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN8/c1-15-10-17(2-6-27-15)23-18(12-26)11-16(13-29-23)14-30-24-22(25)19(3-7-28-24)20-5-9-33-21(32-20)4-8-31-33/h2-11,13H,14H2,1H3,(H,28,30).
What are the key properties of 5-[[(3-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yl-2-pyridinyl)amino]methyl]-2-(2-methyl-4-pyridinyl)pyridine-3-carbonitrile?
5-[[(3-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yl-2-pyridinyl)amino]methyl]-2-(2-methyl-4-pyridinyl)pyridine-3-carbonitrile has a molecular weight of 436.45 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yl-2-pyridinyl)amino]methyl]-2-(2-methyl-4-pyridinyl)pyridine-3-carbonitrile is sourced from PubChem (CID 129033419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).