3-[[5-(2-methoxy-4-piperidin-4-yloxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

C20H21N7O2 — CID 141463314

IUPAC3-[[5-(2-methoxy-4-piperidin-4-yloxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
SMILESCOc1cc(OC2CCNCC2)ccc1-c1cc(Nc2nccnc2C#N)n[nH]1
InChIInChI=1S/C20H21N7O2/c1-28-18-10-14(29-13-4-6-22-7-5-13)2-3-15(18)16-11-19(27-26-16)25-20-17(12-21)23-8-9-24-20/h2-3,8-11,13,22H,4-7H2,1H3,(H2,24,25,26,27)
InChIKeyPJAQJOBTFJLHQJ-UHFFFAOYSA-N
MW391.44 g/mol
LogP2.62
Rot. Bonds6

About 3-[[5-(2-methoxy-4-piperidin-4-yloxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

3-[[5-(2-methoxy-4-piperidin-4-yloxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 141463314) has the molecular formula C20H21N7O2 and a molecular weight of 391.44 g/mol. Its IUPAC name is 3-[[5-(2-methoxy-4-piperidin-4-yloxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[[5-(2-methoxy-4-piperidin-4-yloxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID141463314
Molecular FormulaC20H21N7O2
Molecular Weight391.44 g/mol
Exact Mass391.18
IUPAC Name3-[[5-(2-methoxy-4-piperidin-4-yloxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
SMILESCOc1cc(OC2CCNCC2)ccc1-c1cc(Nc2nccnc2C#N)n[nH]1
InChIInChI=1S/C20H21N7O2/c1-28-18-10-14(29-13-4-6-22-7-5-13)2-3-15(18)16-11-19(27-26-16)25-20-17(12-21)23-8-9-24-20/h2-3,8-11,13,22H,4-7H2,1H3,(H2,24,25,26,27)
InChIKeyPJAQJOBTFJLHQJ-UHFFFAOYSA-N
XLogP2.62
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-[[5-(2-methoxy-4-piperidin-4-yloxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile 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 3-[[5-(2-methoxy-4-piperidin-4-yloxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[[5-(2-methoxy-4-piperidin-4-yloxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (CID 141463314) is 3-[[5-(2-methoxy-4-piperidin-4-yloxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[[5-(2-methoxy-4-piperidin-4-yloxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[[5-(2-methoxy-4-piperidin-4-yloxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is COc1cc(OC2CCNCC2)ccc1-c1cc(Nc2nccnc2C#N)n[nH]1.
What is the InChIKey of 3-[[5-(2-methoxy-4-piperidin-4-yloxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is PJAQJOBTFJLHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O2/c1-28-18-10-14(29-13-4-6-22-7-5-13)2-3-15(18)16-11-19(27-26-16)25-20-17(12-21)23-8-9-24-20/h2-3,8-11,13,22H,4-7H2,1H3,(H2,24,25,26,27).
What are the key properties of 3-[[5-(2-methoxy-4-piperidin-4-yloxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
3-[[5-(2-methoxy-4-piperidin-4-yloxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 391.44 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2-methoxy-4-piperidin-4-yloxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 141463314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).