3-[6-(3-fluoropyrrolidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine

C17H19FN6O — CID 123709728

IUPAC3-[6-(3-fluoropyrrolidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine
SMILESCC(C)Oc1cc2c(-c3cc(N4CCC(F)C4)ncn3)n[nH]c2cn1
InChIInChI=1S/C17H19FN6O/c1-10(2)25-16-5-12-14(7-19-16)22-23-17(12)13-6-15(21-9-20-13)24-4-3-11(18)8-24/h5-7,9-11H,3-4,8H2,1-2H3,(H,22,23)
InChIKeyVPCSEDOQWXJFNY-UHFFFAOYSA-N
MW342.38 g/mol
LogP2.75
Rot. Bonds4

About 3-[6-(3-fluoropyrrolidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine

3-[6-(3-fluoropyrrolidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine (PubChem CID 123709728) has the molecular formula C17H19FN6O and a molecular weight of 342.38 g/mol. Its IUPAC name is 3-[6-(3-fluoropyrrolidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-[6-(3-fluoropyrrolidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine
PubChem CID123709728
Molecular FormulaC17H19FN6O
Molecular Weight342.38 g/mol
Exact Mass342.16
IUPAC Name3-[6-(3-fluoropyrrolidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine
SMILESCC(C)Oc1cc2c(-c3cc(N4CCC(F)C4)ncn3)n[nH]c2cn1
InChIInChI=1S/C17H19FN6O/c1-10(2)25-16-5-12-14(7-19-16)22-23-17(12)13-6-15(21-9-20-13)24-4-3-11(18)8-24/h5-7,9-11H,3-4,8H2,1-2H3,(H,22,23)
InChIKeyVPCSEDOQWXJFNY-UHFFFAOYSA-N
XLogP2.75
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(3-fluoropyrrolidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-[6-(3-fluoropyrrolidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine (CID 123709728) is 3-[6-(3-fluoropyrrolidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-[6-(3-fluoropyrrolidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-[6-(3-fluoropyrrolidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine is CC(C)Oc1cc2c(-c3cc(N4CCC(F)C4)ncn3)n[nH]c2cn1.
What is the InChIKey of 3-[6-(3-fluoropyrrolidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is VPCSEDOQWXJFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6O/c1-10(2)25-16-5-12-14(7-19-16)22-23-17(12)13-6-15(21-9-20-13)24-4-3-11(18)8-24/h5-7,9-11H,3-4,8H2,1-2H3,(H,22,23).
What are the key properties of 3-[6-(3-fluoropyrrolidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine?
3-[6-(3-fluoropyrrolidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 342.38 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3-fluoropyrrolidin-1-yl)pyrimidin-4-yl]-5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 123709728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).