7-(3-methyl-4-morpholin-4-ylphenyl)-N-[[(3R)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine

C24H30N6O — CID 71113342

IUPAC7-(3-methyl-4-morpholin-4-ylphenyl)-N-[[(3R)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
SMILESCc1cc(-c2cc3nccnc3c(NC[C@@H]3CCCNC3)n2)ccc1N1CCOCC1
InChIInChI=1S/C24H30N6O/c1-17-13-19(4-5-22(17)30-9-11-31-12-10-30)20-14-21-23(27-8-7-26-21)24(29-20)28-16-18-3-2-6-25-15-18/h4-5,7-8,13-14,18,25H,2-3,6,9-12,15-16H2,1H3,(H,28,29)/t18-/m1/s1
InChIKeyYEZVAXDZLRHNET-GOSISDBHSA-N
MW418.55 g/mol
LogP3.25
Rot. Bonds5

About 7-(3-methyl-4-morpholin-4-ylphenyl)-N-[[(3R)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine

7-(3-methyl-4-morpholin-4-ylphenyl)-N-[[(3R)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine (PubChem CID 71113342) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is 7-(3-methyl-4-morpholin-4-ylphenyl)-N-[[(3R)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound Name7-(3-methyl-4-morpholin-4-ylphenyl)-N-[[(3R)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
PubChem CID71113342
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC Name7-(3-methyl-4-morpholin-4-ylphenyl)-N-[[(3R)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
SMILESCc1cc(-c2cc3nccnc3c(NC[C@@H]3CCCNC3)n2)ccc1N1CCOCC1
InChIInChI=1S/C24H30N6O/c1-17-13-19(4-5-22(17)30-9-11-31-12-10-30)20-14-21-23(27-8-7-26-21)24(29-20)28-16-18-3-2-6-25-15-18/h4-5,7-8,13-14,18,25H,2-3,6,9-12,15-16H2,1H3,(H,28,29)/t18-/m1/s1
InChIKeyYEZVAXDZLRHNET-GOSISDBHSA-N
XLogP3.25
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-(3-methyl-4-morpholin-4-ylphenyl)-N-[[(3R)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine with MolForge

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Related Compounds

7-(3-chloro-4-methylphenyl)-N-[[(3R)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113328
morpholin-4-yl-[4-[5-(piperidin-3-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]methanone
CID 71113693
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-fluoro-4-(1,4-oxazepan-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113777
2-morpholin-4-yl-5-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]benzonitrile
CID 71113373
CID 161049361
CID 161049361
7-[6-(methylamino)-3-pyridinyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 71113685
7-(3-chloro-4-fluorophenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 71113679
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
N-[(3-methylpiperidin-4-yl)methyl]-7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine
CID 123975040

Frequently Asked Questions

What is the IUPAC name of 7-(3-methyl-4-morpholin-4-ylphenyl)-N-[[(3R)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
The IUPAC name of 7-(3-methyl-4-morpholin-4-ylphenyl)-N-[[(3R)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine (CID 71113342) is 7-(3-methyl-4-morpholin-4-ylphenyl)-N-[[(3R)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine.
What is the SMILES notation for 7-(3-methyl-4-morpholin-4-ylphenyl)-N-[[(3R)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
The canonical SMILES for 7-(3-methyl-4-morpholin-4-ylphenyl)-N-[[(3R)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine is Cc1cc(-c2cc3nccnc3c(NC[C@@H]3CCCNC3)n2)ccc1N1CCOCC1.
What is the InChIKey of 7-(3-methyl-4-morpholin-4-ylphenyl)-N-[[(3R)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
The InChIKey is YEZVAXDZLRHNET-GOSISDBHSA-N. The full InChI is InChI=1S/C24H30N6O/c1-17-13-19(4-5-22(17)30-9-11-31-12-10-30)20-14-21-23(27-8-7-26-21)24(29-20)28-16-18-3-2-6-25-15-18/h4-5,7-8,13-14,18,25H,2-3,6,9-12,15-16H2,1H3,(H,28,29)/t18-/m1/s1.
What are the key properties of 7-(3-methyl-4-morpholin-4-ylphenyl)-N-[[(3R)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine?
7-(3-methyl-4-morpholin-4-ylphenyl)-N-[[(3R)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine has a molecular weight of 418.55 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methyl-4-morpholin-4-ylphenyl)-N-[[(3R)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 71113342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).