[4-[3-(3-hydroxypiperidin-1-yl)-7-phenylpyrido[2,3-b]pyrazin-6-yl]phenyl]methylazanium

C25H26N5O+ — CID 58524499

IUPAC[4-[3-(3-hydroxypiperidin-1-yl)-7-phenylpyrido[2,3-b]pyrazin-6-yl]phenyl]methylazanium
SMILES[NH3+]Cc1ccc(-c2nc3nc(N4CCCC(O)C4)cnc3cc2-c2ccccc2)cc1
InChIInChI=1S/C25H25N5O/c26-14-17-8-10-19(11-9-17)24-21(18-5-2-1-3-6-18)13-22-25(29-24)28-23(15-27-22)30-12-4-7-20(31)16-30/h1-3,5-6,8-11,13,15,20,31H,4,7,12,14,16,26H2/p+1
InChIKeyPWDBXEXZFJBYME-UHFFFAOYSA-O
MW412.52 g/mol
LogP3.06
Rot. Bonds4

About [4-[3-(3-hydroxypiperidin-1-yl)-7-phenylpyrido[2,3-b]pyrazin-6-yl]phenyl]methylazanium

[4-[3-(3-hydroxypiperidin-1-yl)-7-phenylpyrido[2,3-b]pyrazin-6-yl]phenyl]methylazanium (PubChem CID 58524499) has the molecular formula C25H26N5O+ and a molecular weight of 412.52 g/mol. Its IUPAC name is [4-[3-(3-hydroxypiperidin-1-yl)-7-phenylpyrido[2,3-b]pyrazin-6-yl]phenyl]methylazanium.

Molecular Properties

Compound Name[4-[3-(3-hydroxypiperidin-1-yl)-7-phenylpyrido[2,3-b]pyrazin-6-yl]phenyl]methylazanium
PubChem CID58524499
Molecular FormulaC25H26N5O+
Molecular Weight412.52 g/mol
Exact Mass412.21
IUPAC Name[4-[3-(3-hydroxypiperidin-1-yl)-7-phenylpyrido[2,3-b]pyrazin-6-yl]phenyl]methylazanium
SMILES[NH3+]Cc1ccc(-c2nc3nc(N4CCCC(O)C4)cnc3cc2-c2ccccc2)cc1
InChIInChI=1S/C25H25N5O/c26-14-17-8-10-19(11-9-17)24-21(18-5-2-1-3-6-18)13-22-25(29-24)28-23(15-27-22)30-12-4-7-20(31)16-30/h1-3,5-6,8-11,13,15,20,31H,4,7,12,14,16,26H2/p+1
InChIKeyPWDBXEXZFJBYME-UHFFFAOYSA-O
XLogP3.06
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(3-hydroxypiperidin-1-yl)-7-phenylpyrido[2,3-b]pyrazin-6-yl]phenyl]methylazanium?
The IUPAC name of [4-[3-(3-hydroxypiperidin-1-yl)-7-phenylpyrido[2,3-b]pyrazin-6-yl]phenyl]methylazanium (CID 58524499) is [4-[3-(3-hydroxypiperidin-1-yl)-7-phenylpyrido[2,3-b]pyrazin-6-yl]phenyl]methylazanium.
What is the SMILES notation for [4-[3-(3-hydroxypiperidin-1-yl)-7-phenylpyrido[2,3-b]pyrazin-6-yl]phenyl]methylazanium?
The canonical SMILES for [4-[3-(3-hydroxypiperidin-1-yl)-7-phenylpyrido[2,3-b]pyrazin-6-yl]phenyl]methylazanium is [NH3+]Cc1ccc(-c2nc3nc(N4CCCC(O)C4)cnc3cc2-c2ccccc2)cc1.
What is the InChIKey of [4-[3-(3-hydroxypiperidin-1-yl)-7-phenylpyrido[2,3-b]pyrazin-6-yl]phenyl]methylazanium?
The InChIKey is PWDBXEXZFJBYME-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H25N5O/c26-14-17-8-10-19(11-9-17)24-21(18-5-2-1-3-6-18)13-22-25(29-24)28-23(15-27-22)30-12-4-7-20(31)16-30/h1-3,5-6,8-11,13,15,20,31H,4,7,12,14,16,26H2/p+1.
What are the key properties of [4-[3-(3-hydroxypiperidin-1-yl)-7-phenylpyrido[2,3-b]pyrazin-6-yl]phenyl]methylazanium?
[4-[3-(3-hydroxypiperidin-1-yl)-7-phenylpyrido[2,3-b]pyrazin-6-yl]phenyl]methylazanium has a molecular weight of 412.52 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(3-hydroxypiperidin-1-yl)-7-phenylpyrido[2,3-b]pyrazin-6-yl]phenyl]methylazanium is sourced from PubChem (CID 58524499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).