4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile

C17H11FN6 — CID 162760881

IUPAC4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
SMILESCn1cc(-c2c(C#N)cnc3[nH]ccc23)c(-c2ccc(F)cn2)n1
InChIInChI=1S/C17H11FN6/c1-24-9-13(16(23-24)14-3-2-11(18)8-21-14)15-10(6-19)7-22-17-12(15)4-5-20-17/h2-5,7-9H,1H3,(H,20,22)
InChIKeyBTJGNDDJOXCXNJ-UHFFFAOYSA-N
MW318.32 g/mol
LogP3.04
Rot. Bonds2

About 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile

4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile (PubChem CID 162760881) has the molecular formula C17H11FN6 and a molecular weight of 318.32 g/mol. Its IUPAC name is 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
PubChem CID162760881
Molecular FormulaC17H11FN6
Molecular Weight318.32 g/mol
Exact Mass318.10
IUPAC Name4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
SMILESCn1cc(-c2c(C#N)cnc3[nH]ccc23)c(-c2ccc(F)cn2)n1
InChIInChI=1S/C17H11FN6/c1-24-9-13(16(23-24)14-3-2-11(18)8-21-14)15-10(6-19)7-22-17-12(15)4-5-20-17/h2-5,7-9H,1H3,(H,20,22)
InChIKeyBTJGNDDJOXCXNJ-UHFFFAOYSA-N
XLogP3.04
TPSA83.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile?
The IUPAC name of 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile (CID 162760881) is 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile is Cn1cc(-c2c(C#N)cnc3[nH]ccc23)c(-c2ccc(F)cn2)n1.
What is the InChIKey of 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile?
The InChIKey is BTJGNDDJOXCXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN6/c1-24-9-13(16(23-24)14-3-2-11(18)8-21-14)15-10(6-19)7-22-17-12(15)4-5-20-17/h2-5,7-9H,1H3,(H,20,22).
What are the key properties of 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile?
4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile has a molecular weight of 318.32 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile is sourced from PubChem (CID 162760881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).