N-[[(2S)-morpholin-2-yl]methyl]-7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine

C22H26N6O2 — CID 71113404

IUPACN-[[(2S)-morpholin-2-yl]methyl]-7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine
SMILESc1cnc2c(NC[C@@H]3CNCCO3)nc(-c3ccc(N4CCOCC4)cc3)cc2n1
InChIInChI=1S/C22H26N6O2/c1-3-17(28-8-11-29-12-9-28)4-2-16(1)19-13-20-21(25-6-5-24-20)22(27-19)26-15-18-14-23-7-10-30-18/h1-6,13,18,23H,7-12,14-15H2,(H,26,27)/t18-/m0/s1
InChIKeyHJCJFGMPMNBXRW-SFHVURJKSA-N
MW406.49 g/mol
LogP1.93
Rot. Bonds5

About N-[[(2S)-morpholin-2-yl]methyl]-7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine

N-[[(2S)-morpholin-2-yl]methyl]-7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine (PubChem CID 71113404) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[[(2S)-morpholin-2-yl]methyl]-7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound NameN-[[(2S)-morpholin-2-yl]methyl]-7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine
PubChem CID71113404
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC NameN-[[(2S)-morpholin-2-yl]methyl]-7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine
SMILESc1cnc2c(NC[C@@H]3CNCCO3)nc(-c3ccc(N4CCOCC4)cc3)cc2n1
InChIInChI=1S/C22H26N6O2/c1-3-17(28-8-11-29-12-9-28)4-2-16(1)19-13-20-21(25-6-5-24-20)22(27-19)26-15-18-14-23-7-10-30-18/h1-6,13,18,23H,7-12,14-15H2,(H,26,27)/t18-/m0/s1
InChIKeyHJCJFGMPMNBXRW-SFHVURJKSA-N
XLogP1.93
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-morpholin-2-yl]methyl]-7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine?
The IUPAC name of N-[[(2S)-morpholin-2-yl]methyl]-7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine (CID 71113404) is N-[[(2S)-morpholin-2-yl]methyl]-7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine.
What is the SMILES notation for N-[[(2S)-morpholin-2-yl]methyl]-7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine?
The canonical SMILES for N-[[(2S)-morpholin-2-yl]methyl]-7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine is c1cnc2c(NC[C@@H]3CNCCO3)nc(-c3ccc(N4CCOCC4)cc3)cc2n1.
What is the InChIKey of N-[[(2S)-morpholin-2-yl]methyl]-7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine?
The InChIKey is HJCJFGMPMNBXRW-SFHVURJKSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-3-17(28-8-11-29-12-9-28)4-2-16(1)19-13-20-21(25-6-5-24-20)22(27-19)26-15-18-14-23-7-10-30-18/h1-6,13,18,23H,7-12,14-15H2,(H,26,27)/t18-/m0/s1.
What are the key properties of N-[[(2S)-morpholin-2-yl]methyl]-7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine?
N-[[(2S)-morpholin-2-yl]methyl]-7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine has a molecular weight of 406.49 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-morpholin-2-yl]methyl]-7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 71113404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).