2-(azetidin-3-yloxy)-N-[6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]cinnolin-3-yl]pyridine-4-carboxamide

C25H25FN8O2 — CID 138590628

IUPAC2-(azetidin-3-yloxy)-N-[6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]cinnolin-3-yl]pyridine-4-carboxamide
SMILESO=C(Nc1cc2cc(-c3cnn4c3CN(CCF)CC4)ccc2nn1)c1ccnc(OC2CNC2)c1
InChIInChI=1S/C25H25FN8O2/c26-4-6-33-7-8-34-22(15-33)20(14-29-34)16-1-2-21-18(9-16)10-23(32-31-21)30-25(35)17-3-5-28-24(11-17)36-19-12-27-13-19/h1-3,5,9-11,14,19,27H,4,6-8,12-13,15H2,(H,30,32,35)
InChIKeyGWCXQMYVEORYPT-UHFFFAOYSA-N
MW488.53 g/mol
LogP2.28
Rot. Bonds7

About 2-(azetidin-3-yloxy)-N-[6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]cinnolin-3-yl]pyridine-4-carboxamide

2-(azetidin-3-yloxy)-N-[6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]cinnolin-3-yl]pyridine-4-carboxamide (PubChem CID 138590628) has the molecular formula C25H25FN8O2 and a molecular weight of 488.53 g/mol. Its IUPAC name is 2-(azetidin-3-yloxy)-N-[6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]cinnolin-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(azetidin-3-yloxy)-N-[6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]cinnolin-3-yl]pyridine-4-carboxamide
PubChem CID138590628
Molecular FormulaC25H25FN8O2
Molecular Weight488.53 g/mol
Exact Mass488.21
IUPAC Name2-(azetidin-3-yloxy)-N-[6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]cinnolin-3-yl]pyridine-4-carboxamide
SMILESO=C(Nc1cc2cc(-c3cnn4c3CN(CCF)CC4)ccc2nn1)c1ccnc(OC2CNC2)c1
InChIInChI=1S/C25H25FN8O2/c26-4-6-33-7-8-34-22(15-33)20(14-29-34)16-1-2-21-18(9-16)10-23(32-31-21)30-25(35)17-3-5-28-24(11-17)36-19-12-27-13-19/h1-3,5,9-11,14,19,27H,4,6-8,12-13,15H2,(H,30,32,35)
InChIKeyGWCXQMYVEORYPT-UHFFFAOYSA-N
XLogP2.28
TPSA110.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.53
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-(azetidin-3-yloxy)-N-[3-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-1,7-naphthyridin-6-yl]pyridine-4-carboxamide
CID 138589243
N-[1-[2-(azetidin-3-ylsulfanyl)-4-pyridinyl]ethenyl]-6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]isoquinolin-3-amine
CID 166787298
2-[4-(2-fluoroethyl)piperazin-1-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide
CID 138588588
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-(pyrrolidin-1-ylmethyl)pyridine-4-carboxamide
CID 138587835
2-(azetidin-3-yloxy)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
CID 138587826
5-N-[6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2,7-naphthyridin-3-yl]-2-N-methylpyridine-2,5-dicarboxamide
CID 138604994
6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-N-[1-[1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]ethenyl]isoquinolin-3-amine
CID 166955083
2-piperidin-4-yloxy-N-[6-(1-propan-2-ylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide
CID 134444263
N-[6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2,7-naphthyridin-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 138589109
2-(2,7-diazaspiro[3.5]nonan-7-yl)-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide
CID 138588309
N-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]-2-(1-propan-2-ylpiperidin-4-yl)oxypyridine-4-carboxamide
CID 138588684
2-(3,3-difluoroazetidin-1-yl)-N-[6-(3-methylimidazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide
CID 138587728

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yloxy)-N-[6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]cinnolin-3-yl]pyridine-4-carboxamide?
The IUPAC name of 2-(azetidin-3-yloxy)-N-[6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]cinnolin-3-yl]pyridine-4-carboxamide (CID 138590628) is 2-(azetidin-3-yloxy)-N-[6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]cinnolin-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(azetidin-3-yloxy)-N-[6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]cinnolin-3-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-(azetidin-3-yloxy)-N-[6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]cinnolin-3-yl]pyridine-4-carboxamide is O=C(Nc1cc2cc(-c3cnn4c3CN(CCF)CC4)ccc2nn1)c1ccnc(OC2CNC2)c1.
What is the InChIKey of 2-(azetidin-3-yloxy)-N-[6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]cinnolin-3-yl]pyridine-4-carboxamide?
The InChIKey is GWCXQMYVEORYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN8O2/c26-4-6-33-7-8-34-22(15-33)20(14-29-34)16-1-2-21-18(9-16)10-23(32-31-21)30-25(35)17-3-5-28-24(11-17)36-19-12-27-13-19/h1-3,5,9-11,14,19,27H,4,6-8,12-13,15H2,(H,30,32,35).
What are the key properties of 2-(azetidin-3-yloxy)-N-[6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]cinnolin-3-yl]pyridine-4-carboxamide?
2-(azetidin-3-yloxy)-N-[6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]cinnolin-3-yl]pyridine-4-carboxamide has a molecular weight of 488.53 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yloxy)-N-[6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]cinnolin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 138590628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).