4-amino-6-(3-cyanophenyl)-2-[(2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazine-7-carbonitrile

C21H13FN6 — CID 146307188

IUPAC4-amino-6-(3-cyanophenyl)-2-[(2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazine-7-carbonitrile
SMILESN#Cc1cccc(-c2nc(N)c3cc(Cc4ccccc4F)nn3c2C#N)c1
InChIInChI=1S/C21H13FN6/c22-17-7-2-1-5-14(17)9-16-10-18-21(25)26-20(19(12-24)28(18)27-16)15-6-3-4-13(8-15)11-23/h1-8,10H,9H2,(H2,25,26)
InChIKeyXARDVPMTLNQWJT-UHFFFAOYSA-N
MW368.38 g/mol
LogP3.45
Rot. Bonds3

About 4-amino-6-(3-cyanophenyl)-2-[(2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazine-7-carbonitrile

4-amino-6-(3-cyanophenyl)-2-[(2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazine-7-carbonitrile (PubChem CID 146307188) has the molecular formula C21H13FN6 and a molecular weight of 368.38 g/mol. Its IUPAC name is 4-amino-6-(3-cyanophenyl)-2-[(2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazine-7-carbonitrile.

Molecular Properties

Compound Name4-amino-6-(3-cyanophenyl)-2-[(2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazine-7-carbonitrile
PubChem CID146307188
Molecular FormulaC21H13FN6
Molecular Weight368.38 g/mol
Exact Mass368.12
IUPAC Name4-amino-6-(3-cyanophenyl)-2-[(2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazine-7-carbonitrile
SMILESN#Cc1cccc(-c2nc(N)c3cc(Cc4ccccc4F)nn3c2C#N)c1
InChIInChI=1S/C21H13FN6/c22-17-7-2-1-5-14(17)9-16-10-18-21(25)26-20(19(12-24)28(18)27-16)15-6-3-4-13(8-15)11-23/h1-8,10H,9H2,(H2,25,26)
InChIKeyXARDVPMTLNQWJT-UHFFFAOYSA-N
XLogP3.45
TPSA103.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(3-cyanophenyl)-2-[(2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazine-7-carbonitrile?
The IUPAC name of 4-amino-6-(3-cyanophenyl)-2-[(2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazine-7-carbonitrile (CID 146307188) is 4-amino-6-(3-cyanophenyl)-2-[(2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazine-7-carbonitrile.
What is the SMILES notation for 4-amino-6-(3-cyanophenyl)-2-[(2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazine-7-carbonitrile?
The canonical SMILES for 4-amino-6-(3-cyanophenyl)-2-[(2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazine-7-carbonitrile is N#Cc1cccc(-c2nc(N)c3cc(Cc4ccccc4F)nn3c2C#N)c1.
What is the InChIKey of 4-amino-6-(3-cyanophenyl)-2-[(2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazine-7-carbonitrile?
The InChIKey is XARDVPMTLNQWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FN6/c22-17-7-2-1-5-14(17)9-16-10-18-21(25)26-20(19(12-24)28(18)27-16)15-6-3-4-13(8-15)11-23/h1-8,10H,9H2,(H2,25,26).
What are the key properties of 4-amino-6-(3-cyanophenyl)-2-[(2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazine-7-carbonitrile?
4-amino-6-(3-cyanophenyl)-2-[(2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazine-7-carbonitrile has a molecular weight of 368.38 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(3-cyanophenyl)-2-[(2-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazine-7-carbonitrile is sourced from PubChem (CID 146307188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).