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

C16H11ClFN5 — CID 162761048

IUPAC3-chloro-4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2ccnc3[nH]cc(Cl)c23)c(-c2ccc(F)cn2)n1
InChIInChI=1S/C16H11ClFN5/c1-23-8-11(15(22-23)13-3-2-9(18)6-20-13)10-4-5-19-16-14(10)12(17)7-21-16/h2-8H,1H3,(H,19,21)
InChIKeyVHWCCKOSYXRVGJ-UHFFFAOYSA-N
MW327.75 g/mol
LogP3.82
Rot. Bonds2

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

3-chloro-4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 162761048) has the molecular formula C16H11ClFN5 and a molecular weight of 327.75 g/mol. Its IUPAC name is 3-chloro-4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-chloro-4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID162761048
Molecular FormulaC16H11ClFN5
Molecular Weight327.75 g/mol
Exact Mass327.07
IUPAC Name3-chloro-4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2ccnc3[nH]cc(Cl)c23)c(-c2ccc(F)cn2)n1
InChIInChI=1S/C16H11ClFN5/c1-23-8-11(15(22-23)13-3-2-9(18)6-20-13)10-4-5-19-16-14(10)12(17)7-21-16/h2-8H,1H3,(H,19,21)
InChIKeyVHWCCKOSYXRVGJ-UHFFFAOYSA-N
XLogP3.82
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.75
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-chloro-4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine (CID 162761048) is 3-chloro-4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-chloro-4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-chloro-4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine is Cn1cc(-c2ccnc3[nH]cc(Cl)c23)c(-c2ccc(F)cn2)n1.
What is the InChIKey of 3-chloro-4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is VHWCCKOSYXRVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN5/c1-23-8-11(15(22-23)13-3-2-9(18)6-20-13)10-4-5-19-16-14(10)12(17)7-21-16/h2-8H,1H3,(H,19,21).
What are the key properties of 3-chloro-4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
3-chloro-4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 327.75 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 162761048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).