N-[[(2S)-morpholin-2-yl]methyl]-7-[6-(oxan-4-ylmethoxy)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine

C23H28N6O3 — CID 71113426

IUPACN-[[(2S)-morpholin-2-yl]methyl]-7-[6-(oxan-4-ylmethoxy)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine
SMILESc1cnc2c(NC[C@@H]3CNCCO3)nc(-c3ccc(OCC4CCOCC4)nc3)cc2n1
InChIInChI=1S/C23H28N6O3/c1-2-21(32-15-16-3-8-30-9-4-16)27-12-17(1)19-11-20-22(26-6-5-25-20)23(29-19)28-14-18-13-24-7-10-31-18/h1-2,5-6,11-12,16,18,24H,3-4,7-10,13-15H2,(H,28,29)/t18-/m0/s1
InChIKeyINJLVYFLPPNERE-SFHVURJKSA-N
MW436.52 g/mol
LogP2.29
Rot. Bonds7

About N-[[(2S)-morpholin-2-yl]methyl]-7-[6-(oxan-4-ylmethoxy)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine

N-[[(2S)-morpholin-2-yl]methyl]-7-[6-(oxan-4-ylmethoxy)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine (PubChem CID 71113426) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is N-[[(2S)-morpholin-2-yl]methyl]-7-[6-(oxan-4-ylmethoxy)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound NameN-[[(2S)-morpholin-2-yl]methyl]-7-[6-(oxan-4-ylmethoxy)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine
PubChem CID71113426
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC NameN-[[(2S)-morpholin-2-yl]methyl]-7-[6-(oxan-4-ylmethoxy)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine
SMILESc1cnc2c(NC[C@@H]3CNCCO3)nc(-c3ccc(OCC4CCOCC4)nc3)cc2n1
InChIInChI=1S/C23H28N6O3/c1-2-21(32-15-16-3-8-30-9-4-16)27-12-17(1)19-11-20-22(26-6-5-25-20)23(29-19)28-14-18-13-24-7-10-31-18/h1-2,5-6,11-12,16,18,24H,3-4,7-10,13-15H2,(H,28,29)/t18-/m0/s1
InChIKeyINJLVYFLPPNERE-SFHVURJKSA-N
XLogP2.29
TPSA103.31 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-morpholin-2-yl]methyl]-7-[6-(oxan-4-ylmethoxy)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine?
The IUPAC name of N-[[(2S)-morpholin-2-yl]methyl]-7-[6-(oxan-4-ylmethoxy)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine (CID 71113426) is N-[[(2S)-morpholin-2-yl]methyl]-7-[6-(oxan-4-ylmethoxy)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine.
What is the SMILES notation for N-[[(2S)-morpholin-2-yl]methyl]-7-[6-(oxan-4-ylmethoxy)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine?
The canonical SMILES for N-[[(2S)-morpholin-2-yl]methyl]-7-[6-(oxan-4-ylmethoxy)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine is c1cnc2c(NC[C@@H]3CNCCO3)nc(-c3ccc(OCC4CCOCC4)nc3)cc2n1.
What is the InChIKey of N-[[(2S)-morpholin-2-yl]methyl]-7-[6-(oxan-4-ylmethoxy)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine?
The InChIKey is INJLVYFLPPNERE-SFHVURJKSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-2-21(32-15-16-3-8-30-9-4-16)27-12-17(1)19-11-20-22(26-6-5-25-20)23(29-19)28-14-18-13-24-7-10-31-18/h1-2,5-6,11-12,16,18,24H,3-4,7-10,13-15H2,(H,28,29)/t18-/m0/s1.
What are the key properties of N-[[(2S)-morpholin-2-yl]methyl]-7-[6-(oxan-4-ylmethoxy)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine?
N-[[(2S)-morpholin-2-yl]methyl]-7-[6-(oxan-4-ylmethoxy)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine has a molecular weight of 436.52 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-morpholin-2-yl]methyl]-7-[6-(oxan-4-ylmethoxy)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 71113426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).