4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine

C16H14FN5 — CID 162761026

IUPAC4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine
SMILESCn1cc(-c2ccnc3c2CNC3)c(-c2ccc(F)cn2)n1
InChIInChI=1S/C16H14FN5/c1-22-9-13(11-4-5-19-15-8-18-7-12(11)15)16(21-22)14-3-2-10(17)6-20-14/h2-6,9,18H,7-8H2,1H3
InChIKeyTXRXYAHORYVHQE-UHFFFAOYSA-N
MW295.32 g/mol
LogP2.29
Rot. Bonds2

About 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine

4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine (PubChem CID 162761026) has the molecular formula C16H14FN5 and a molecular weight of 295.32 g/mol. Its IUPAC name is 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine
PubChem CID162761026
Molecular FormulaC16H14FN5
Molecular Weight295.32 g/mol
Exact Mass295.12
IUPAC Name4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine
SMILESCn1cc(-c2ccnc3c2CNC3)c(-c2ccc(F)cn2)n1
InChIInChI=1S/C16H14FN5/c1-22-9-13(11-4-5-19-15-8-18-7-12(11)15)16(21-22)14-3-2-10(17)6-20-14/h2-6,9,18H,7-8H2,1H3
InChIKeyTXRXYAHORYVHQE-UHFFFAOYSA-N
XLogP2.29
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 52.29
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]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine?
The IUPAC name of 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine (CID 162761026) is 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine.
What is the SMILES notation for 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine?
The canonical SMILES for 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine is Cn1cc(-c2ccnc3c2CNC3)c(-c2ccc(F)cn2)n1.
What is the InChIKey of 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine?
The InChIKey is TXRXYAHORYVHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5/c1-22-9-13(11-4-5-19-15-8-18-7-12(11)15)16(21-22)14-3-2-10(17)6-20-14/h2-6,9,18H,7-8H2,1H3.
What are the key properties of 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine?
4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine has a molecular weight of 295.32 g/mol, XLogP of 2.29, 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]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine is sourced from PubChem (CID 162761026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).