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

C17H12F2N4 — CID 166628359

IUPAC3-(3,4-difluorophenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2cnc3[nH]cc(-c4ccc(F)c(F)c4)c3c2)cn1
InChIInChI=1S/C17H12F2N4/c1-23-9-12(7-22-23)11-4-13-14(8-21-17(13)20-6-11)10-2-3-15(18)16(19)5-10/h2-9H,1H3,(H,20,21)
InChIKeyLRNDAJAXQRDAIB-UHFFFAOYSA-N
MW310.31 g/mol
LogP3.91
Rot. Bonds2

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

3-(3,4-difluorophenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 166628359) has the molecular formula C17H12F2N4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID166628359
Molecular FormulaC17H12F2N4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name3-(3,4-difluorophenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2cnc3[nH]cc(-c4ccc(F)c(F)c4)c3c2)cn1
InChIInChI=1S/C17H12F2N4/c1-23-9-12(7-22-23)11-4-13-14(8-21-17(13)20-6-11)10-2-3-15(18)16(19)5-10/h2-9H,1H3,(H,20,21)
InChIKeyLRNDAJAXQRDAIB-UHFFFAOYSA-N
XLogP3.91
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(3,4-difluorophenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 166628359) is 3-(3,4-difluorophenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(3,4-difluorophenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(3,4-difluorophenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is Cn1cc(-c2cnc3[nH]cc(-c4ccc(F)c(F)c4)c3c2)cn1.
What is the InChIKey of 3-(3,4-difluorophenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is LRNDAJAXQRDAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N4/c1-23-9-12(7-22-23)11-4-13-14(8-21-17(13)20-6-11)10-2-3-15(18)16(19)5-10/h2-9H,1H3,(H,20,21).
What are the key properties of 3-(3,4-difluorophenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
3-(3,4-difluorophenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 310.31 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 166628359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).