7-(3-fluoro-4-methoxyphenyl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine

C20H22FN5O — CID 71113886

IUPAC7-(3-fluoro-4-methoxyphenyl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
SMILESCOc1ccc(-c2cc3nccnc3c(NC[C@H]3CCCNC3)n2)cc1F
InChIInChI=1S/C20H22FN5O/c1-27-18-5-4-14(9-15(18)21)16-10-17-19(24-8-7-23-17)20(26-16)25-12-13-3-2-6-22-11-13/h4-5,7-10,13,22H,2-3,6,11-12H2,1H3,(H,25,26)/t13-/m0/s1
InChIKeyHPKQMRJVDWCWTQ-ZDUSSCGKSA-N
MW367.43 g/mol
LogP3.25
Rot. Bonds5

About 7-(3-fluoro-4-methoxyphenyl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine

7-(3-fluoro-4-methoxyphenyl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine (PubChem CID 71113886) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is 7-(3-fluoro-4-methoxyphenyl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound Name7-(3-fluoro-4-methoxyphenyl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
PubChem CID71113886
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC Name7-(3-fluoro-4-methoxyphenyl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
SMILESCOc1ccc(-c2cc3nccnc3c(NC[C@H]3CCCNC3)n2)cc1F
InChIInChI=1S/C20H22FN5O/c1-27-18-5-4-14(9-15(18)21)16-10-17-19(24-8-7-23-17)20(26-16)25-12-13-3-2-6-22-11-13/h4-5,7-10,13,22H,2-3,6,11-12H2,1H3,(H,25,26)/t13-/m0/s1
InChIKeyHPKQMRJVDWCWTQ-ZDUSSCGKSA-N
XLogP3.25
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-(3-fluoro-4-methoxyphenyl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine with MolForge

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Related Compounds

7-(3-chloro-4-methoxyphenyl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113390
7-(4-methoxyphenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 71113807
7-[3-fluoro-4-(methylamino)phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 78012250
7-(3-chloro-4-fluorophenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 71113679
7-(3-fluoro-4-methoxyphenyl)-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine;sulfane
CID 157227299
7-(3,5-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 71113761
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-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-[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
N-ethyl-4-[5-(piperidin-3-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]benzamide
CID 71113684

Frequently Asked Questions

What is the IUPAC name of 7-(3-fluoro-4-methoxyphenyl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
The IUPAC name of 7-(3-fluoro-4-methoxyphenyl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine (CID 71113886) is 7-(3-fluoro-4-methoxyphenyl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine.
What is the SMILES notation for 7-(3-fluoro-4-methoxyphenyl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
The canonical SMILES for 7-(3-fluoro-4-methoxyphenyl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine is COc1ccc(-c2cc3nccnc3c(NC[C@H]3CCCNC3)n2)cc1F.
What is the InChIKey of 7-(3-fluoro-4-methoxyphenyl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
The InChIKey is HPKQMRJVDWCWTQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H22FN5O/c1-27-18-5-4-14(9-15(18)21)16-10-17-19(24-8-7-23-17)20(26-16)25-12-13-3-2-6-22-11-13/h4-5,7-10,13,22H,2-3,6,11-12H2,1H3,(H,25,26)/t13-/m0/s1.
What are the key properties of 7-(3-fluoro-4-methoxyphenyl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
7-(3-fluoro-4-methoxyphenyl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine has a molecular weight of 367.43 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluoro-4-methoxyphenyl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 71113886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).