4-[1-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-4-yl]oxybenzonitrile

C27H24N8O — CID 135241897

IUPAC4-[1-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-4-yl]oxybenzonitrile
SMILESCn1cc(-c2cn3nccc3c(-c3ccc(N4CCC(Oc5ccc(C#N)cc5)CC4)nc3)n2)cn1
InChIInChI=1S/C27H24N8O/c1-33-17-21(16-31-33)24-18-35-25(8-11-30-35)27(32-24)20-4-7-26(29-15-20)34-12-9-23(10-13-34)36-22-5-2-19(14-28)3-6-22/h2-8,11,15-18,23H,9-10,12-13H2,1H3
InChIKeyRQLDOLHESLYLAV-UHFFFAOYSA-N
MW476.54 g/mol
LogP4.11
Rot. Bonds5

About 4-[1-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-4-yl]oxybenzonitrile

4-[1-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-4-yl]oxybenzonitrile (PubChem CID 135241897) has the molecular formula C27H24N8O and a molecular weight of 476.54 g/mol. Its IUPAC name is 4-[1-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-4-yl]oxybenzonitrile.

Molecular Properties

Compound Name4-[1-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-4-yl]oxybenzonitrile
PubChem CID135241897
Molecular FormulaC27H24N8O
Molecular Weight476.54 g/mol
Exact Mass476.21
IUPAC Name4-[1-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-4-yl]oxybenzonitrile
SMILESCn1cc(-c2cn3nccc3c(-c3ccc(N4CCC(Oc5ccc(C#N)cc5)CC4)nc3)n2)cn1
InChIInChI=1S/C27H24N8O/c1-33-17-21(16-31-33)24-18-35-25(8-11-30-35)27(32-24)20-4-7-26(29-15-20)34-12-9-23(10-13-34)36-22-5-2-19(14-28)3-6-22/h2-8,11,15-18,23H,9-10,12-13H2,1H3
InChIKeyRQLDOLHESLYLAV-UHFFFAOYSA-N
XLogP4.11
TPSA97.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[1-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-4-yl]oxybenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-4-yl]oxybenzonitrile?
The IUPAC name of 4-[1-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-4-yl]oxybenzonitrile (CID 135241897) is 4-[1-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-4-yl]oxybenzonitrile.
What is the SMILES notation for 4-[1-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-4-yl]oxybenzonitrile?
The canonical SMILES for 4-[1-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-4-yl]oxybenzonitrile is Cn1cc(-c2cn3nccc3c(-c3ccc(N4CCC(Oc5ccc(C#N)cc5)CC4)nc3)n2)cn1.
What is the InChIKey of 4-[1-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-4-yl]oxybenzonitrile?
The InChIKey is RQLDOLHESLYLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N8O/c1-33-17-21(16-31-33)24-18-35-25(8-11-30-35)27(32-24)20-4-7-26(29-15-20)34-12-9-23(10-13-34)36-22-5-2-19(14-28)3-6-22/h2-8,11,15-18,23H,9-10,12-13H2,1H3.
What are the key properties of 4-[1-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-4-yl]oxybenzonitrile?
4-[1-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-4-yl]oxybenzonitrile has a molecular weight of 476.54 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-2-pyridinyl]piperidin-4-yl]oxybenzonitrile is sourced from PubChem (CID 135241897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).