7-(4-methoxyphenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine

C20H23N5O — CID 71113807

IUPAC7-(4-methoxyphenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
SMILESCOc1ccc(-c2cc3nccnc3c(NCC3CCCNC3)n2)cc1
InChIInChI=1S/C20H23N5O/c1-26-16-6-4-15(5-7-16)17-11-18-19(23-10-9-22-18)20(25-17)24-13-14-3-2-8-21-12-14/h4-7,9-11,14,21H,2-3,8,12-13H2,1H3,(H,24,25)
InChIKeyOMEUMAYPCCSBGL-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.11
Rot. Bonds5

About 7-(4-methoxyphenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine

7-(4-methoxyphenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine (PubChem CID 71113807) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
PubChem CID71113807
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name7-(4-methoxyphenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
SMILESCOc1ccc(-c2cc3nccnc3c(NCC3CCCNC3)n2)cc1
InChIInChI=1S/C20H23N5O/c1-26-16-6-4-15(5-7-16)17-11-18-19(23-10-9-22-18)20(25-17)24-13-14-3-2-8-21-12-14/h4-7,9-11,14,21H,2-3,8,12-13H2,1H3,(H,24,25)
InChIKeyOMEUMAYPCCSBGL-UHFFFAOYSA-N
XLogP3.11
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine?
The IUPAC name of 7-(4-methoxyphenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine (CID 71113807) is 7-(4-methoxyphenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine.
What is the SMILES notation for 7-(4-methoxyphenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine?
The canonical SMILES for 7-(4-methoxyphenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine is COc1ccc(-c2cc3nccnc3c(NCC3CCCNC3)n2)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine?
The InChIKey is OMEUMAYPCCSBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-26-16-6-4-15(5-7-16)17-11-18-19(23-10-9-22-18)20(25-17)24-13-14-3-2-8-21-12-14/h4-7,9-11,14,21H,2-3,8,12-13H2,1H3,(H,24,25).
What are the key properties of 7-(4-methoxyphenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine?
7-(4-methoxyphenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine has a molecular weight of 349.44 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 71113807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).