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

C15H15F2N5 — CID 118190112

IUPAC4-(3,3-difluoropyrrolidin-1-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2c[nH]c3nccc(N4CCC(F)(F)C4)c23)cn1
InChIInChI=1S/C15H15F2N5/c1-21-8-10(6-20-21)11-7-19-14-13(11)12(2-4-18-14)22-5-3-15(16,17)9-22/h2,4,6-8H,3,5,9H2,1H3,(H,18,19)
InChIKeyNUUWSMCDIZDYFD-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.81
Rot. Bonds2

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

4-(3,3-difluoropyrrolidin-1-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 118190112) has the molecular formula C15H15F2N5 and a molecular weight of 303.32 g/mol. Its IUPAC name is 4-(3,3-difluoropyrrolidin-1-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(3,3-difluoropyrrolidin-1-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID118190112
Molecular FormulaC15H15F2N5
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name4-(3,3-difluoropyrrolidin-1-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2c[nH]c3nccc(N4CCC(F)(F)C4)c23)cn1
InChIInChI=1S/C15H15F2N5/c1-21-8-10(6-20-21)11-7-19-14-13(11)12(2-4-18-14)22-5-3-15(16,17)9-22/h2,4,6-8H,3,5,9H2,1H3,(H,18,19)
InChIKeyNUUWSMCDIZDYFD-UHFFFAOYSA-N
XLogP2.81
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoropyrrolidin-1-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(3,3-difluoropyrrolidin-1-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 118190112) is 4-(3,3-difluoropyrrolidin-1-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(3,3-difluoropyrrolidin-1-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(3,3-difluoropyrrolidin-1-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is Cn1cc(-c2c[nH]c3nccc(N4CCC(F)(F)C4)c23)cn1.
What is the InChIKey of 4-(3,3-difluoropyrrolidin-1-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is NUUWSMCDIZDYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N5/c1-21-8-10(6-20-21)11-7-19-14-13(11)12(2-4-18-14)22-5-3-15(16,17)9-22/h2,4,6-8H,3,5,9H2,1H3,(H,18,19).
What are the key properties of 4-(3,3-difluoropyrrolidin-1-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
4-(3,3-difluoropyrrolidin-1-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 303.32 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoropyrrolidin-1-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 118190112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).