ethane;N-[5-fluoro-1-(2-hydroxyethyl)-6-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[3,4-b]pyridin-3-yl]formamide

C18H19FN6O2 — CID 143953056

IUPACethane;N-[5-fluoro-1-(2-hydroxyethyl)-6-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[3,4-b]pyridin-3-yl]formamide
SMILESCC.O=CNc1nn(CCO)c2nc(-c3cnn4ccccc34)c(F)cc12
InChIInChI=1S/C16H13FN6O2.C2H6/c17-12-7-10-15(18-9-25)21-23(5-6-24)16(10)20-14(12)11-8-19-22-4-2-1-3-13(11)22;1-2/h1-4,7-9,24H,5-6H2,(H,18,21,25);1-2H3
InChIKeyZMGVFHWRKULHED-UHFFFAOYSA-N
MW370.39 g/mol
LogP2.47
Rot. Bonds5

About ethane;N-[5-fluoro-1-(2-hydroxyethyl)-6-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[3,4-b]pyridin-3-yl]formamide

ethane;N-[5-fluoro-1-(2-hydroxyethyl)-6-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[3,4-b]pyridin-3-yl]formamide (PubChem CID 143953056) has the molecular formula C18H19FN6O2 and a molecular weight of 370.39 g/mol. Its IUPAC name is ethane;N-[5-fluoro-1-(2-hydroxyethyl)-6-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[3,4-b]pyridin-3-yl]formamide.

Molecular Properties

Compound Nameethane;N-[5-fluoro-1-(2-hydroxyethyl)-6-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[3,4-b]pyridin-3-yl]formamide
PubChem CID143953056
Molecular FormulaC18H19FN6O2
Molecular Weight370.39 g/mol
Exact Mass370.16
IUPAC Nameethane;N-[5-fluoro-1-(2-hydroxyethyl)-6-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[3,4-b]pyridin-3-yl]formamide
SMILESCC.O=CNc1nn(CCO)c2nc(-c3cnn4ccccc34)c(F)cc12
InChIInChI=1S/C16H13FN6O2.C2H6/c17-12-7-10-15(18-9-25)21-23(5-6-24)16(10)20-14(12)11-8-19-22-4-2-1-3-13(11)22;1-2/h1-4,7-9,24H,5-6H2,(H,18,21,25);1-2H3
InChIKeyZMGVFHWRKULHED-UHFFFAOYSA-N
XLogP2.47
TPSA97.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[5-fluoro-1-(2-hydroxyethyl)-6-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[3,4-b]pyridin-3-yl]formamide?
The IUPAC name of ethane;N-[5-fluoro-1-(2-hydroxyethyl)-6-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[3,4-b]pyridin-3-yl]formamide (CID 143953056) is ethane;N-[5-fluoro-1-(2-hydroxyethyl)-6-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[3,4-b]pyridin-3-yl]formamide.
What is the SMILES notation for ethane;N-[5-fluoro-1-(2-hydroxyethyl)-6-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[3,4-b]pyridin-3-yl]formamide?
The canonical SMILES for ethane;N-[5-fluoro-1-(2-hydroxyethyl)-6-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[3,4-b]pyridin-3-yl]formamide is CC.O=CNc1nn(CCO)c2nc(-c3cnn4ccccc34)c(F)cc12.
What is the InChIKey of ethane;N-[5-fluoro-1-(2-hydroxyethyl)-6-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[3,4-b]pyridin-3-yl]formamide?
The InChIKey is ZMGVFHWRKULHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN6O2.C2H6/c17-12-7-10-15(18-9-25)21-23(5-6-24)16(10)20-14(12)11-8-19-22-4-2-1-3-13(11)22;1-2/h1-4,7-9,24H,5-6H2,(H,18,21,25);1-2H3.
What are the key properties of ethane;N-[5-fluoro-1-(2-hydroxyethyl)-6-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[3,4-b]pyridin-3-yl]formamide?
ethane;N-[5-fluoro-1-(2-hydroxyethyl)-6-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[3,4-b]pyridin-3-yl]formamide has a molecular weight of 370.39 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[5-fluoro-1-(2-hydroxyethyl)-6-pyrazolo[1,5-a]pyridin-3-ylpyrazolo[3,4-b]pyridin-3-yl]formamide is sourced from PubChem (CID 143953056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).