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

C21H25N5O2 — CID 71113761

IUPAC7-(3,5-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
SMILESCOc1cc(OC)cc(-c2cc3nccnc3c(NCC3CCCNC3)n2)c1
InChIInChI=1S/C21H25N5O2/c1-27-16-8-15(9-17(10-16)28-2)18-11-19-20(24-7-6-23-19)21(26-18)25-13-14-4-3-5-22-12-14/h6-11,14,22H,3-5,12-13H2,1-2H3,(H,25,26)
InChIKeyAHKBBJVYVTYXGU-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.12
Rot. Bonds6

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

7-(3,5-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine (PubChem CID 71113761) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 7-(3,5-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound Name7-(3,5-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
PubChem CID71113761
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name7-(3,5-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
SMILESCOc1cc(OC)cc(-c2cc3nccnc3c(NCC3CCCNC3)n2)c1
InChIInChI=1S/C21H25N5O2/c1-27-16-8-15(9-17(10-16)28-2)18-11-19-20(24-7-6-23-19)21(26-18)25-13-14-4-3-5-22-12-14/h6-11,14,22H,3-5,12-13H2,1-2H3,(H,25,26)
InChIKeyAHKBBJVYVTYXGU-UHFFFAOYSA-N
XLogP3.12
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-(3,5-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(4-methoxyphenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 71113807
7-(3-fluoro-4-methoxyphenyl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113886
7-(3-chloro-4-methoxyphenyl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113390
7-[4-[2-(dimethylamino)ethoxy]phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 71113438
7-(3-chloro-4-methylphenyl)-N-[[(3R)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113328
7-[6-(methylamino)-3-pyridinyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 71113685
7-[3-fluoro-4-(methylamino)phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 78012250
N-[[(3S)-piperidin-3-yl]methyl]-7-(6-propan-2-yloxy-3-pyridinyl)pyrido[3,4-b]pyrazin-5-amine;hydrochloride
CID 66556702
7-(3-chloro-4-fluorophenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 71113679
N-ethyl-4-[5-(piperidin-3-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]benzamide
CID 71113684
2-[4-[5-[[(3S)-piperidin-3-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]pyrazol-1-yl]ethanol
CID 71113909
7-[3-fluoro-4-[2-methoxyethyl(propyl)amino]phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 122527985

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine?
The IUPAC name of 7-(3,5-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine (CID 71113761) is 7-(3,5-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine.
What is the SMILES notation for 7-(3,5-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine?
The canonical SMILES for 7-(3,5-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine is COc1cc(OC)cc(-c2cc3nccnc3c(NCC3CCCNC3)n2)c1.
What is the InChIKey of 7-(3,5-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine?
The InChIKey is AHKBBJVYVTYXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-27-16-8-15(9-17(10-16)28-2)18-11-19-20(24-7-6-23-19)21(26-18)25-13-14-4-3-5-22-12-14/h6-11,14,22H,3-5,12-13H2,1-2H3,(H,25,26).
What are the key properties of 7-(3,5-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine?
7-(3,5-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine has a molecular weight of 379.46 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 71113761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).