6-fluoro-3-(oxan-4-yl)-5-pyrazolo[1,5-a]pyrazin-3-yloxy-1H-imidazo[4,5-b]pyridin-2-one

C17H15FN6O3 — CID 172800388

IUPAC6-fluoro-3-(oxan-4-yl)-5-pyrazolo[1,5-a]pyrazin-3-yloxy-1H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2cc(F)c(Oc3cnn4ccncc34)nc2n1C1CCOCC1
InChIInChI=1S/C17H15FN6O3/c18-11-7-12-15(24(17(25)21-12)10-1-5-26-6-2-10)22-16(11)27-14-9-20-23-4-3-19-8-13(14)23/h3-4,7-10H,1-2,5-6H2,(H,21,25)
InChIKeyQTYIEDANLHKZJR-UHFFFAOYSA-N
MW370.34 g/mol
LogP2.05
Rot. Bonds3

About 6-fluoro-3-(oxan-4-yl)-5-pyrazolo[1,5-a]pyrazin-3-yloxy-1H-imidazo[4,5-b]pyridin-2-one

6-fluoro-3-(oxan-4-yl)-5-pyrazolo[1,5-a]pyrazin-3-yloxy-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 172800388) has the molecular formula C17H15FN6O3 and a molecular weight of 370.34 g/mol. Its IUPAC name is 6-fluoro-3-(oxan-4-yl)-5-pyrazolo[1,5-a]pyrazin-3-yloxy-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-fluoro-3-(oxan-4-yl)-5-pyrazolo[1,5-a]pyrazin-3-yloxy-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID172800388
Molecular FormulaC17H15FN6O3
Molecular Weight370.34 g/mol
Exact Mass370.12
IUPAC Name6-fluoro-3-(oxan-4-yl)-5-pyrazolo[1,5-a]pyrazin-3-yloxy-1H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2cc(F)c(Oc3cnn4ccncc34)nc2n1C1CCOCC1
InChIInChI=1S/C17H15FN6O3/c18-11-7-12-15(24(17(25)21-12)10-1-5-26-6-2-10)22-16(11)27-14-9-20-23-4-3-19-8-13(14)23/h3-4,7-10H,1-2,5-6H2,(H,21,25)
InChIKeyQTYIEDANLHKZJR-UHFFFAOYSA-N
XLogP2.05
TPSA99.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-fluoro-3-(oxan-4-yl)-5-pyrazolo[1,5-a]pyrazin-3-yloxy-1H-imidazo[4,5-b]pyridin-2-one with MolForge

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Related Compounds

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6-chloro-2-(6-fluorobenzimidazol-1-yl)-9-(oxan-4-yl)-7H-purin-8-one
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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(oxan-4-yl)-5-pyrazolo[1,5-a]pyrazin-3-yloxy-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-fluoro-3-(oxan-4-yl)-5-pyrazolo[1,5-a]pyrazin-3-yloxy-1H-imidazo[4,5-b]pyridin-2-one (CID 172800388) is 6-fluoro-3-(oxan-4-yl)-5-pyrazolo[1,5-a]pyrazin-3-yloxy-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-fluoro-3-(oxan-4-yl)-5-pyrazolo[1,5-a]pyrazin-3-yloxy-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-fluoro-3-(oxan-4-yl)-5-pyrazolo[1,5-a]pyrazin-3-yloxy-1H-imidazo[4,5-b]pyridin-2-one is O=c1[nH]c2cc(F)c(Oc3cnn4ccncc34)nc2n1C1CCOCC1.
What is the InChIKey of 6-fluoro-3-(oxan-4-yl)-5-pyrazolo[1,5-a]pyrazin-3-yloxy-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is QTYIEDANLHKZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN6O3/c18-11-7-12-15(24(17(25)21-12)10-1-5-26-6-2-10)22-16(11)27-14-9-20-23-4-3-19-8-13(14)23/h3-4,7-10H,1-2,5-6H2,(H,21,25).
What are the key properties of 6-fluoro-3-(oxan-4-yl)-5-pyrazolo[1,5-a]pyrazin-3-yloxy-1H-imidazo[4,5-b]pyridin-2-one?
6-fluoro-3-(oxan-4-yl)-5-pyrazolo[1,5-a]pyrazin-3-yloxy-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 370.34 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(oxan-4-yl)-5-pyrazolo[1,5-a]pyrazin-3-yloxy-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 172800388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).