[4-[3-(1-methylpyrazol-4-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine

C21H26N6O — CID 164618526

IUPAC[4-[3-(1-methylpyrazol-4-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine
SMILESCn1cc(-c2nc(OCC3CCNCC3)cnc2-c2ccc(CN)cc2)cn1
InChIInChI=1S/C21H26N6O/c1-27-13-18(11-25-27)21-20(17-4-2-15(10-22)3-5-17)24-12-19(26-21)28-14-16-6-8-23-9-7-16/h2-5,11-13,16,23H,6-10,14,22H2,1H3
InChIKeyVISFMXBKFGNJNS-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.38
Rot. Bonds6

About [4-[3-(1-methylpyrazol-4-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine

[4-[3-(1-methylpyrazol-4-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine (PubChem CID 164618526) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is [4-[3-(1-methylpyrazol-4-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[3-(1-methylpyrazol-4-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine
PubChem CID164618526
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name[4-[3-(1-methylpyrazol-4-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine
SMILESCn1cc(-c2nc(OCC3CCNCC3)cnc2-c2ccc(CN)cc2)cn1
InChIInChI=1S/C21H26N6O/c1-27-13-18(11-25-27)21-20(17-4-2-15(10-22)3-5-17)24-12-19(26-21)28-14-16-6-8-23-9-7-16/h2-5,11-13,16,23H,6-10,14,22H2,1H3
InChIKeyVISFMXBKFGNJNS-UHFFFAOYSA-N
XLogP2.38
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-[3-(1-methylpyrazol-4-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine 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-[3-(1-methylpyrazol-4-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine?
The IUPAC name of [4-[3-(1-methylpyrazol-4-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine (CID 164618526) is [4-[3-(1-methylpyrazol-4-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine.
What is the SMILES notation for [4-[3-(1-methylpyrazol-4-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine?
The canonical SMILES for [4-[3-(1-methylpyrazol-4-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine is Cn1cc(-c2nc(OCC3CCNCC3)cnc2-c2ccc(CN)cc2)cn1.
What is the InChIKey of [4-[3-(1-methylpyrazol-4-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine?
The InChIKey is VISFMXBKFGNJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-27-13-18(11-25-27)21-20(17-4-2-15(10-22)3-5-17)24-12-19(26-21)28-14-16-6-8-23-9-7-16/h2-5,11-13,16,23H,6-10,14,22H2,1H3.
What are the key properties of [4-[3-(1-methylpyrazol-4-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine?
[4-[3-(1-methylpyrazol-4-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine has a molecular weight of 378.48 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(1-methylpyrazol-4-yl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine is sourced from PubChem (CID 164618526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).