N-[[(2S)-morpholin-2-yl]methyl]-7-[6-(1,4-oxazepan-4-yl)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine

C22H27N7O2 — CID 71113797

IUPACN-[[(2S)-morpholin-2-yl]methyl]-7-[6-(1,4-oxazepan-4-yl)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine
SMILESc1cnc2c(NC[C@@H]3CNCCO3)nc(-c3ccc(N4CCCOCC4)nc3)cc2n1
InChIInChI=1S/C22H27N7O2/c1-7-29(8-11-30-9-1)20-3-2-16(13-26-20)18-12-19-21(25-5-4-24-19)22(28-18)27-15-17-14-23-6-10-31-17/h2-5,12-13,17,23H,1,6-11,14-15H2,(H,27,28)/t17-/m0/s1
InChIKeyOTUAFWZRRXQNTA-KRWDZBQOSA-N
MW421.51 g/mol
LogP1.71
Rot. Bonds5

About N-[[(2S)-morpholin-2-yl]methyl]-7-[6-(1,4-oxazepan-4-yl)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine

N-[[(2S)-morpholin-2-yl]methyl]-7-[6-(1,4-oxazepan-4-yl)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine (PubChem CID 71113797) has the molecular formula C22H27N7O2 and a molecular weight of 421.51 g/mol. Its IUPAC name is N-[[(2S)-morpholin-2-yl]methyl]-7-[6-(1,4-oxazepan-4-yl)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound NameN-[[(2S)-morpholin-2-yl]methyl]-7-[6-(1,4-oxazepan-4-yl)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine
PubChem CID71113797
Molecular FormulaC22H27N7O2
Molecular Weight421.51 g/mol
Exact Mass421.22
IUPAC NameN-[[(2S)-morpholin-2-yl]methyl]-7-[6-(1,4-oxazepan-4-yl)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine
SMILESc1cnc2c(NC[C@@H]3CNCCO3)nc(-c3ccc(N4CCCOCC4)nc3)cc2n1
InChIInChI=1S/C22H27N7O2/c1-7-29(8-11-30-9-1)20-3-2-16(13-26-20)18-12-19-21(25-5-4-24-19)22(28-18)27-15-17-14-23-6-10-31-17/h2-5,12-13,17,23H,1,6-11,14-15H2,(H,27,28)/t17-/m0/s1
InChIKeyOTUAFWZRRXQNTA-KRWDZBQOSA-N
XLogP1.71
TPSA97.32 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 51.71
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-(1,4-oxazepan-4-yl)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine?
The IUPAC name of N-[[(2S)-morpholin-2-yl]methyl]-7-[6-(1,4-oxazepan-4-yl)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine (CID 71113797) is N-[[(2S)-morpholin-2-yl]methyl]-7-[6-(1,4-oxazepan-4-yl)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine.
What is the SMILES notation for N-[[(2S)-morpholin-2-yl]methyl]-7-[6-(1,4-oxazepan-4-yl)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine?
The canonical SMILES for N-[[(2S)-morpholin-2-yl]methyl]-7-[6-(1,4-oxazepan-4-yl)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine is c1cnc2c(NC[C@@H]3CNCCO3)nc(-c3ccc(N4CCCOCC4)nc3)cc2n1.
What is the InChIKey of N-[[(2S)-morpholin-2-yl]methyl]-7-[6-(1,4-oxazepan-4-yl)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine?
The InChIKey is OTUAFWZRRXQNTA-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H27N7O2/c1-7-29(8-11-30-9-1)20-3-2-16(13-26-20)18-12-19-21(25-5-4-24-19)22(28-18)27-15-17-14-23-6-10-31-17/h2-5,12-13,17,23H,1,6-11,14-15H2,(H,27,28)/t17-/m0/s1.
What are the key properties of N-[[(2S)-morpholin-2-yl]methyl]-7-[6-(1,4-oxazepan-4-yl)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine?
N-[[(2S)-morpholin-2-yl]methyl]-7-[6-(1,4-oxazepan-4-yl)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine has a molecular weight of 421.51 g/mol, XLogP of 1.71, 5 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-(1,4-oxazepan-4-yl)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 71113797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).