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

C15H14FN9 — CID 74426336

IUPAC3-[1-(5-fluoropyrimidin-2-yl)ethylamino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile
SMILESCc1cc(Nc2cnc(C#N)c(NC(C)c3ncc(F)cn3)n2)n[nH]1
InChIInChI=1S/C15H14FN9/c1-8-3-12(25-24-8)22-13-7-18-11(4-17)15(23-13)21-9(2)14-19-5-10(16)6-20-14/h3,5-7,9H,1-2H3,(H3,21,22,23,24,25)
InChIKeyPIRRYRRDDTYFPP-UHFFFAOYSA-N
MW339.34 g/mol
LogP2.23
Rot. Bonds5

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

3-[1-(5-fluoropyrimidin-2-yl)ethylamino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile (PubChem CID 74426336) has the molecular formula C15H14FN9 and a molecular weight of 339.34 g/mol. Its IUPAC name is 3-[1-(5-fluoropyrimidin-2-yl)ethylamino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[1-(5-fluoropyrimidin-2-yl)ethylamino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile
PubChem CID74426336
Molecular FormulaC15H14FN9
Molecular Weight339.34 g/mol
Exact Mass339.14
IUPAC Name3-[1-(5-fluoropyrimidin-2-yl)ethylamino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile
SMILESCc1cc(Nc2cnc(C#N)c(NC(C)c3ncc(F)cn3)n2)n[nH]1
InChIInChI=1S/C15H14FN9/c1-8-3-12(25-24-8)22-13-7-18-11(4-17)15(23-13)21-9(2)14-19-5-10(16)6-20-14/h3,5-7,9H,1-2H3,(H3,21,22,23,24,25)
InChIKeyPIRRYRRDDTYFPP-UHFFFAOYSA-N
XLogP2.23
TPSA128.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-[1-(5-fluoropyrimidin-2-yl)ethylamino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-2-[1-(5-fluoropyrimidin-2-yl)ethylamino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile
CID 67426021
3-chloro-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile
CID 164830024
5-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[[(1S)-1-phenylethyl]amino]pyridine-3-carbonitrile
CID 122634597
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
3-(5-fluoro-2-pyridinyl)-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]propanenitrile
CID 66614046
(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-[[6-chloro-2-[[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]amino]pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile
CID 86644131
2-chloro-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile
CID 11983545
5-chloro-2-N-[(5-fluoropyrimidin-2-yl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 50993640
2-[difluoro-(5-fluoro-2-pyridinyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazoline-7-carbonitrile
CID 56848632

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-fluoropyrimidin-2-yl)ethylamino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[1-(5-fluoropyrimidin-2-yl)ethylamino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile (CID 74426336) is 3-[1-(5-fluoropyrimidin-2-yl)ethylamino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[1-(5-fluoropyrimidin-2-yl)ethylamino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[1-(5-fluoropyrimidin-2-yl)ethylamino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile is Cc1cc(Nc2cnc(C#N)c(NC(C)c3ncc(F)cn3)n2)n[nH]1.
What is the InChIKey of 3-[1-(5-fluoropyrimidin-2-yl)ethylamino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile?
The InChIKey is PIRRYRRDDTYFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN9/c1-8-3-12(25-24-8)22-13-7-18-11(4-17)15(23-13)21-9(2)14-19-5-10(16)6-20-14/h3,5-7,9H,1-2H3,(H3,21,22,23,24,25).
What are the key properties of 3-[1-(5-fluoropyrimidin-2-yl)ethylamino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile?
3-[1-(5-fluoropyrimidin-2-yl)ethylamino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile has a molecular weight of 339.34 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-fluoropyrimidin-2-yl)ethylamino]-5-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 74426336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).