3-(3-fluoropyrrolidin-1-yl)-5-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[5,4-b]pyridine

C17H20FN7 — CID 166876612

IUPAC3-(3-fluoropyrrolidin-1-yl)-5-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[5,4-b]pyridine
SMILESFC1CCN(c2n[nH]c3ncc(-c4cnn(C5CCNC5)c4)cc23)C1
InChIInChI=1S/C17H20FN7/c18-13-2-4-24(10-13)17-15-5-11(6-20-16(15)22-23-17)12-7-21-25(9-12)14-1-3-19-8-14/h5-7,9,13-14,19H,1-4,8,10H2,(H,20,22,23)
InChIKeyJYWFCHQCVOPDAR-UHFFFAOYSA-N
MW341.39 g/mol
LogP1.90
Rot. Bonds3

About 3-(3-fluoropyrrolidin-1-yl)-5-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[5,4-b]pyridine

3-(3-fluoropyrrolidin-1-yl)-5-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[5,4-b]pyridine (PubChem CID 166876612) has the molecular formula C17H20FN7 and a molecular weight of 341.39 g/mol. Its IUPAC name is 3-(3-fluoropyrrolidin-1-yl)-5-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-(3-fluoropyrrolidin-1-yl)-5-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[5,4-b]pyridine
PubChem CID166876612
Molecular FormulaC17H20FN7
Molecular Weight341.39 g/mol
Exact Mass341.18
IUPAC Name3-(3-fluoropyrrolidin-1-yl)-5-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[5,4-b]pyridine
SMILESFC1CCN(c2n[nH]c3ncc(-c4cnn(C5CCNC5)c4)cc23)C1
InChIInChI=1S/C17H20FN7/c18-13-2-4-24(10-13)17-15-5-11(6-20-16(15)22-23-17)12-7-21-25(9-12)14-1-3-19-8-14/h5-7,9,13-14,19H,1-4,8,10H2,(H,20,22,23)
InChIKeyJYWFCHQCVOPDAR-UHFFFAOYSA-N
XLogP1.90
TPSA74.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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3-(3,5-difluoro-2-methoxyphenyl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2H-pyrazolo[3,4-b]pyridine
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N-(1-methylpyrazol-4-yl)-4-(1-pyrrolidin-3-ylpyrazol-4-yl)pyrimidin-2-amine
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methyl 2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-3-carboxylate
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2-[5-(1-cyclopropylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-piperidin-1-yl-1H-imidazo[4,5-c]pyridine
CID 136945997
(2E,3E)-2-[[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methylidene]-3-[(Z)-prop-1-enyl]hexa-3,5-dienenitrile
CID 144751732

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropyrrolidin-1-yl)-5-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[5,4-b]pyridine?
The IUPAC name of 3-(3-fluoropyrrolidin-1-yl)-5-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[5,4-b]pyridine (CID 166876612) is 3-(3-fluoropyrrolidin-1-yl)-5-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 3-(3-fluoropyrrolidin-1-yl)-5-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[5,4-b]pyridine?
The canonical SMILES for 3-(3-fluoropyrrolidin-1-yl)-5-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[5,4-b]pyridine is FC1CCN(c2n[nH]c3ncc(-c4cnn(C5CCNC5)c4)cc23)C1.
What is the InChIKey of 3-(3-fluoropyrrolidin-1-yl)-5-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[5,4-b]pyridine?
The InChIKey is JYWFCHQCVOPDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN7/c18-13-2-4-24(10-13)17-15-5-11(6-20-16(15)22-23-17)12-7-21-25(9-12)14-1-3-19-8-14/h5-7,9,13-14,19H,1-4,8,10H2,(H,20,22,23).
What are the key properties of 3-(3-fluoropyrrolidin-1-yl)-5-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[5,4-b]pyridine?
3-(3-fluoropyrrolidin-1-yl)-5-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[5,4-b]pyridine has a molecular weight of 341.39 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropyrrolidin-1-yl)-5-(1-pyrrolidin-3-ylpyrazol-4-yl)-1H-pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 166876612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).