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

C20H23FN6 — CID 78012250

IUPAC7-[3-fluoro-4-(methylamino)phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
SMILESCNc1ccc(-c2cc3nccnc3c(NCC3CCCNC3)n2)cc1F
InChIInChI=1S/C20H23FN6/c1-22-16-5-4-14(9-15(16)21)17-10-18-19(25-8-7-24-18)20(27-17)26-12-13-3-2-6-23-11-13/h4-5,7-10,13,22-23H,2-3,6,11-12H2,1H3,(H,26,27)
InChIKeyDHZJBMXMLMPKHC-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.28
Rot. Bonds5

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

7-[3-fluoro-4-(methylamino)phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine (PubChem CID 78012250) has the molecular formula C20H23FN6 and a molecular weight of 366.44 g/mol. Its IUPAC name is 7-[3-fluoro-4-(methylamino)phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound Name7-[3-fluoro-4-(methylamino)phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
PubChem CID78012250
Molecular FormulaC20H23FN6
Molecular Weight366.44 g/mol
Exact Mass366.20
IUPAC Name7-[3-fluoro-4-(methylamino)phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
SMILESCNc1ccc(-c2cc3nccnc3c(NCC3CCCNC3)n2)cc1F
InChIInChI=1S/C20H23FN6/c1-22-16-5-4-14(9-15(16)21)17-10-18-19(25-8-7-24-18)20(27-17)26-12-13-3-2-6-23-11-13/h4-5,7-10,13,22-23H,2-3,6,11-12H2,1H3,(H,26,27)
InChIKeyDHZJBMXMLMPKHC-UHFFFAOYSA-N
XLogP3.28
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

7-(3-fluoro-4-methoxyphenyl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113886
7-(3-chloro-4-fluorophenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 71113679
7-[6-(methylamino)-3-pyridinyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 71113685
7-(4-methoxyphenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 71113807
7-(3-chloro-4-methylphenyl)-N-[[(3R)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113328
7-[3-fluoro-4-[2-methoxyethyl(propyl)amino]phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 122527985
7-(3-chloro-4-methoxyphenyl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113390
7-(3,5-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 71113761
7-(3-methyl-4-morpholin-4-ylphenyl)-N-[[(3R)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113342
N-ethyl-4-[5-(piperidin-3-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]benzamide
CID 71113684
7-[4-[2-(dimethylamino)ethoxy]phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 71113438
N-[[(3S)-piperidin-3-yl]methyl]-7-(6-propan-2-yloxy-3-pyridinyl)pyrido[3,4-b]pyrazin-5-amine;hydrochloride
CID 66556702

Frequently Asked Questions

What is the IUPAC name of 7-[3-fluoro-4-(methylamino)phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine?
The IUPAC name of 7-[3-fluoro-4-(methylamino)phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine (CID 78012250) is 7-[3-fluoro-4-(methylamino)phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine.
What is the SMILES notation for 7-[3-fluoro-4-(methylamino)phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine?
The canonical SMILES for 7-[3-fluoro-4-(methylamino)phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine is CNc1ccc(-c2cc3nccnc3c(NCC3CCCNC3)n2)cc1F.
What is the InChIKey of 7-[3-fluoro-4-(methylamino)phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine?
The InChIKey is DHZJBMXMLMPKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6/c1-22-16-5-4-14(9-15(16)21)17-10-18-19(25-8-7-24-18)20(27-17)26-12-13-3-2-6-23-11-13/h4-5,7-10,13,22-23H,2-3,6,11-12H2,1H3,(H,26,27).
What are the key properties of 7-[3-fluoro-4-(methylamino)phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine?
7-[3-fluoro-4-(methylamino)phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine has a molecular weight of 366.44 g/mol, XLogP of 3.28, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-fluoro-4-(methylamino)phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 78012250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).