5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C36H20F4N12 — CID 159113736

IUPAC5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1nc(-c2ncccc2-c2ccn3ncc(C#N)c3n2)ccc1F.N#Cc1cnn2ccc(-c3cccnc3-c3cccc(C(F)(F)F)n3)nc12
InChIInChI=1S/C18H9F3N6.C18H11FN6/c19-18(20,21)15-5-1-4-14(25-15)16-12(3-2-7-23-16)13-6-8-27-17(26-13)11(9-22)10-24-27;1-11-14(19)4-5-16(23-11)17-13(3-2-7-21-17)15-6-8-25-18(24-15)12(9-20)10-22-25/h1-8,10H;2-8,10H,1H3
InChIKeyKEUXPERCMNFEMB-UHFFFAOYSA-N
MW696.63 g/mol
LogP6.92
Rot. Bonds4

About 5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 159113736) has the molecular formula C36H20F4N12 and a molecular weight of 696.63 g/mol. Its IUPAC name is 5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID159113736
Molecular FormulaC36H20F4N12
Molecular Weight696.63 g/mol
Exact Mass696.19
IUPAC Name5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1nc(-c2ncccc2-c2ccn3ncc(C#N)c3n2)ccc1F.N#Cc1cnn2ccc(-c3cccnc3-c3cccc(C(F)(F)F)n3)nc12
InChIInChI=1S/C18H9F3N6.C18H11FN6/c19-18(20,21)15-5-1-4-14(25-15)16-12(3-2-7-23-16)13-6-8-27-17(26-13)11(9-22)10-24-27;1-11-14(19)4-5-16(23-11)17-13(3-2-7-21-17)15-6-8-25-18(24-15)12(9-20)10-22-25/h1-8,10H;2-8,10H,1H3
InChIKeyKEUXPERCMNFEMB-UHFFFAOYSA-N
XLogP6.92
TPSA159.52 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500696.63
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

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1-{1-[4-(3-phenyl-5-pyrimidin-2-ylpyridin-2-yl)benzyl]piperidin-4-yl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11191934
1-[1-({4-[3-phenyl-5-(pyridin-2-yl)pyridin-2-yl]phenyl}methyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11249673
5-Fluoranyl-2-[5-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]benzenecarbonitrile
CID 89720345
US10399985, Example 30
CID 118278101
2-(4-Fluorophenyl)-3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazine
CID 68518789
1-Phenyl-4-[4-[phenyl(3-pyridyl)methyl]piperazin-1-yl]pyrazolo[3,4-d]pyrimidine
CID 3011480
1-Phenyl-4-[4-[phenyl(4-pyridyl)methyl]piperazin-1-yl]pyrazolo[3,4-d]pyrimidine
CID 3011481
1-Phenyl-4-[4-[phenyl(2-pyridyl)methyl]piperazin-1-yl]pyrazolo[3,4-d]pyrimidine
CID 3011482
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CID 134611933

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 159113736) is 5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is Cc1nc(-c2ncccc2-c2ccn3ncc(C#N)c3n2)ccc1F.N#Cc1cnn2ccc(-c3cccnc3-c3cccc(C(F)(F)F)n3)nc12.
What is the InChIKey of 5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is KEUXPERCMNFEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9F3N6.C18H11FN6/c19-18(20,21)15-5-1-4-14(25-15)16-12(3-2-7-23-16)13-6-8-27-17(26-13)11(9-22)10-24-27;1-11-14(19)4-5-16(23-11)17-13(3-2-7-21-17)15-6-8-25-18(24-15)12(9-20)10-22-25/h1-8,10H;2-8,10H,1H3.
What are the key properties of 5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 696.63 g/mol, XLogP of 6.92, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 159113736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).