5-[[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]amino]pyridine-2-carbonitrile

C16H11F3N6 — CID 155585119

IUPAC5-[[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]amino]pyridine-2-carbonitrile
SMILESCn1nc(-c2ccc(C(F)(F)F)cn2)cc1Nc1ccc(C#N)nc1
InChIInChI=1S/C16H11F3N6/c1-25-15(23-12-4-3-11(7-20)21-9-12)6-14(24-25)13-5-2-10(8-22-13)16(17,18)19/h2-6,8-9,23H,1H3
InChIKeyJNGUCZFKDSZTRE-UHFFFAOYSA-N
MW344.30 g/mol
LogP3.51
Rot. Bonds3

About 5-[[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]amino]pyridine-2-carbonitrile

5-[[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]amino]pyridine-2-carbonitrile (PubChem CID 155585119) has the molecular formula C16H11F3N6 and a molecular weight of 344.30 g/mol. Its IUPAC name is 5-[[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]amino]pyridine-2-carbonitrile
PubChem CID155585119
Molecular FormulaC16H11F3N6
Molecular Weight344.30 g/mol
Exact Mass344.10
IUPAC Name5-[[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]amino]pyridine-2-carbonitrile
SMILESCn1nc(-c2ccc(C(F)(F)F)cn2)cc1Nc1ccc(C#N)nc1
InChIInChI=1S/C16H11F3N6/c1-25-15(23-12-4-3-11(7-20)21-9-12)6-14(24-25)13-5-2-10(8-22-13)16(17,18)19/h2-6,8-9,23H,1H3
InChIKeyJNGUCZFKDSZTRE-UHFFFAOYSA-N
XLogP3.51
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]amino]pyridine-2-carbonitrile (CID 155585119) is 5-[[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]amino]pyridine-2-carbonitrile is Cn1nc(-c2ccc(C(F)(F)F)cn2)cc1Nc1ccc(C#N)nc1.
What is the InChIKey of 5-[[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]amino]pyridine-2-carbonitrile?
The InChIKey is JNGUCZFKDSZTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N6/c1-25-15(23-12-4-3-11(7-20)21-9-12)6-14(24-25)13-5-2-10(8-22-13)16(17,18)19/h2-6,8-9,23H,1H3.
What are the key properties of 5-[[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]amino]pyridine-2-carbonitrile?
5-[[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]amino]pyridine-2-carbonitrile has a molecular weight of 344.30 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 155585119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).