6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cinnolin-3-amine

C26H36FN7 — CID 138604941

IUPAC6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cinnolin-3-amine
SMILESCC(C)CN1CCCC(CNc2cc3cc(-c4cnn5c4CN(CCF)CC5)ccc3nn2)C1
InChIInChI=1S/C26H36FN7/c1-19(2)16-33-8-3-4-20(17-33)14-28-26-13-22-12-21(5-6-24(22)30-31-26)23-15-29-34-11-10-32(9-7-27)18-25(23)34/h5-6,12-13,15,19-20H,3-4,7-11,14,16-18H2,1-2H3,(H,28,31)
InChIKeyQAFDSDZOAPPTQH-UHFFFAOYSA-N
MW465.62 g/mol
LogP4.06
Rot. Bonds8

About 6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cinnolin-3-amine

6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cinnolin-3-amine (PubChem CID 138604941) has the molecular formula C26H36FN7 and a molecular weight of 465.62 g/mol. Its IUPAC name is 6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cinnolin-3-amine.

Molecular Properties

Compound Name6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cinnolin-3-amine
PubChem CID138604941
Molecular FormulaC26H36FN7
Molecular Weight465.62 g/mol
Exact Mass465.30
IUPAC Name6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cinnolin-3-amine
SMILESCC(C)CN1CCCC(CNc2cc3cc(-c4cnn5c4CN(CCF)CC5)ccc3nn2)C1
InChIInChI=1S/C26H36FN7/c1-19(2)16-33-8-3-4-20(17-33)14-28-26-13-22-12-21(5-6-24(22)30-31-26)23-15-29-34-11-10-32(9-7-27)18-25(23)34/h5-6,12-13,15,19-20H,3-4,7-11,14,16-18H2,1-2H3,(H,28,31)
InChIKeyQAFDSDZOAPPTQH-UHFFFAOYSA-N
XLogP4.06
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cinnolin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cinnolin-3-amine?
The IUPAC name of 6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cinnolin-3-amine (CID 138604941) is 6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cinnolin-3-amine.
What is the SMILES notation for 6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cinnolin-3-amine?
The canonical SMILES for 6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cinnolin-3-amine is CC(C)CN1CCCC(CNc2cc3cc(-c4cnn5c4CN(CCF)CC5)ccc3nn2)C1.
What is the InChIKey of 6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cinnolin-3-amine?
The InChIKey is QAFDSDZOAPPTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36FN7/c1-19(2)16-33-8-3-4-20(17-33)14-28-26-13-22-12-21(5-6-24(22)30-31-26)23-15-29-34-11-10-32(9-7-27)18-25(23)34/h5-6,12-13,15,19-20H,3-4,7-11,14,16-18H2,1-2H3,(H,28,31).
What are the key properties of 6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cinnolin-3-amine?
6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cinnolin-3-amine has a molecular weight of 465.62 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]cinnolin-3-amine is sourced from PubChem (CID 138604941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).