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

C26H28N6O — CID 138320061

IUPAC[4-[5-(piperidin-4-ylmethoxy)-3-[4-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl]phenyl]methanamine
SMILESNCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(-c3cn[nH]c3)cc2)cc1
InChIInChI=1S/C26H28N6O/c27-13-18-1-3-21(4-2-18)25-26(22-7-5-20(6-8-22)23-14-30-31-15-23)32-24(16-29-25)33-17-19-9-11-28-12-10-19/h1-8,14-16,19,28H,9-13,17,27H2,(H,30,31)
InChIKeyMYADMJMAENDCBG-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.04
Rot. Bonds7

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

[4-[5-(piperidin-4-ylmethoxy)-3-[4-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl]phenyl]methanamine (PubChem CID 138320061) has the molecular formula C26H28N6O and a molecular weight of 440.55 g/mol. Its IUPAC name is [4-[5-(piperidin-4-ylmethoxy)-3-[4-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[5-(piperidin-4-ylmethoxy)-3-[4-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl]phenyl]methanamine
PubChem CID138320061
Molecular FormulaC26H28N6O
Molecular Weight440.55 g/mol
Exact Mass440.23
IUPAC Name[4-[5-(piperidin-4-ylmethoxy)-3-[4-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl]phenyl]methanamine
SMILESNCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(-c3cn[nH]c3)cc2)cc1
InChIInChI=1S/C26H28N6O/c27-13-18-1-3-21(4-2-18)25-26(22-7-5-20(6-8-22)23-14-30-31-15-23)32-24(16-29-25)33-17-19-9-11-28-12-10-19/h1-8,14-16,19,28H,9-13,17,27H2,(H,30,31)
InChIKeyMYADMJMAENDCBG-UHFFFAOYSA-N
XLogP4.04
TPSA101.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(piperidin-4-ylmethoxy)-3-[4-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl]phenyl]methanamine?
The IUPAC name of [4-[5-(piperidin-4-ylmethoxy)-3-[4-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl]phenyl]methanamine (CID 138320061) is [4-[5-(piperidin-4-ylmethoxy)-3-[4-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl]phenyl]methanamine.
What is the SMILES notation for [4-[5-(piperidin-4-ylmethoxy)-3-[4-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl]phenyl]methanamine?
The canonical SMILES for [4-[5-(piperidin-4-ylmethoxy)-3-[4-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl]phenyl]methanamine is NCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(-c3cn[nH]c3)cc2)cc1.
What is the InChIKey of [4-[5-(piperidin-4-ylmethoxy)-3-[4-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl]phenyl]methanamine?
The InChIKey is MYADMJMAENDCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O/c27-13-18-1-3-21(4-2-18)25-26(22-7-5-20(6-8-22)23-14-30-31-15-23)32-24(16-29-25)33-17-19-9-11-28-12-10-19/h1-8,14-16,19,28H,9-13,17,27H2,(H,30,31).
What are the key properties of [4-[5-(piperidin-4-ylmethoxy)-3-[4-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl]phenyl]methanamine?
[4-[5-(piperidin-4-ylmethoxy)-3-[4-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl]phenyl]methanamine has a molecular weight of 440.55 g/mol, XLogP of 4.04, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(piperidin-4-ylmethoxy)-3-[4-(1H-pyrazol-4-yl)phenyl]pyrazin-2-yl]phenyl]methanamine is sourced from PubChem (CID 138320061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).