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

C20H24N6O — CID 164613036

IUPAC[4-[5-(piperidin-4-ylmethoxy)-3-(1H-pyrazol-4-yl)pyrazin-2-yl]phenyl]methanamine
SMILESNCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2cn[nH]c2)cc1
InChIInChI=1S/C20H24N6O/c21-9-14-1-3-16(4-2-14)19-20(17-10-24-25-11-17)26-18(12-23-19)27-13-15-5-7-22-8-6-15/h1-4,10-12,15,22H,5-9,13,21H2,(H,24,25)
InChIKeyUKQVPEQRJSFWRK-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.37
Rot. Bonds6

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

[4-[5-(piperidin-4-ylmethoxy)-3-(1H-pyrazol-4-yl)pyrazin-2-yl]phenyl]methanamine (PubChem CID 164613036) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is [4-[5-(piperidin-4-ylmethoxy)-3-(1H-pyrazol-4-yl)pyrazin-2-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[5-(piperidin-4-ylmethoxy)-3-(1H-pyrazol-4-yl)pyrazin-2-yl]phenyl]methanamine
PubChem CID164613036
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name[4-[5-(piperidin-4-ylmethoxy)-3-(1H-pyrazol-4-yl)pyrazin-2-yl]phenyl]methanamine
SMILESNCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2cn[nH]c2)cc1
InChIInChI=1S/C20H24N6O/c21-9-14-1-3-16(4-2-14)19-20(17-10-24-25-11-17)26-18(12-23-19)27-13-15-5-7-22-8-6-15/h1-4,10-12,15,22H,5-9,13,21H2,(H,24,25)
InChIKeyUKQVPEQRJSFWRK-UHFFFAOYSA-N
XLogP2.37
TPSA101.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.37
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-(1H-pyrazol-4-yl)pyrazin-2-yl]phenyl]methanamine?
The IUPAC name of [4-[5-(piperidin-4-ylmethoxy)-3-(1H-pyrazol-4-yl)pyrazin-2-yl]phenyl]methanamine (CID 164613036) is [4-[5-(piperidin-4-ylmethoxy)-3-(1H-pyrazol-4-yl)pyrazin-2-yl]phenyl]methanamine.
What is the SMILES notation for [4-[5-(piperidin-4-ylmethoxy)-3-(1H-pyrazol-4-yl)pyrazin-2-yl]phenyl]methanamine?
The canonical SMILES for [4-[5-(piperidin-4-ylmethoxy)-3-(1H-pyrazol-4-yl)pyrazin-2-yl]phenyl]methanamine is NCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2cn[nH]c2)cc1.
What is the InChIKey of [4-[5-(piperidin-4-ylmethoxy)-3-(1H-pyrazol-4-yl)pyrazin-2-yl]phenyl]methanamine?
The InChIKey is UKQVPEQRJSFWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c21-9-14-1-3-16(4-2-14)19-20(17-10-24-25-11-17)26-18(12-23-19)27-13-15-5-7-22-8-6-15/h1-4,10-12,15,22H,5-9,13,21H2,(H,24,25).
What are the key properties of [4-[5-(piperidin-4-ylmethoxy)-3-(1H-pyrazol-4-yl)pyrazin-2-yl]phenyl]methanamine?
[4-[5-(piperidin-4-ylmethoxy)-3-(1H-pyrazol-4-yl)pyrazin-2-yl]phenyl]methanamine has a molecular weight of 364.45 g/mol, XLogP of 2.37, 6 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-(1H-pyrazol-4-yl)pyrazin-2-yl]phenyl]methanamine is sourced from PubChem (CID 164613036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).