1-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-4-ol

C23H28N6O2 — CID 86717401

IUPAC1-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-4-ol
SMILESOC1CCN(c2ccc(-c3cc4nccnc4c(NC[C@@H]4CNCCO4)n3)cc2)CC1
InChIInChI=1S/C23H28N6O2/c30-18-5-10-29(11-6-18)17-3-1-16(2-4-17)20-13-21-22(26-8-7-25-21)23(28-20)27-15-19-14-24-9-12-31-19/h1-4,7-8,13,18-19,24,30H,5-6,9-12,14-15H2,(H,27,28)/t19-/m0/s1
InChIKeyQLRLDQUEHSMQQG-IBGZPJMESA-N
MW420.52 g/mol
LogP2.05
Rot. Bonds5

About 1-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-4-ol

1-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-4-ol (PubChem CID 86717401) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 1-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-4-ol
PubChem CID86717401
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name1-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-4-ol
SMILESOC1CCN(c2ccc(-c3cc4nccnc4c(NC[C@@H]4CNCCO4)n3)cc2)CC1
InChIInChI=1S/C23H28N6O2/c30-18-5-10-29(11-6-18)17-3-1-16(2-4-17)20-13-21-22(26-8-7-25-21)23(28-20)27-15-19-14-24-9-12-31-19/h1-4,7-8,13,18-19,24,30H,5-6,9-12,14-15H2,(H,27,28)/t19-/m0/s1
InChIKeyQLRLDQUEHSMQQG-IBGZPJMESA-N
XLogP2.05
TPSA95.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-4-ol?
The IUPAC name of 1-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-4-ol (CID 86717401) is 1-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-4-ol?
The canonical SMILES for 1-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-4-ol is OC1CCN(c2ccc(-c3cc4nccnc4c(NC[C@@H]4CNCCO4)n3)cc2)CC1.
What is the InChIKey of 1-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-4-ol?
The InChIKey is QLRLDQUEHSMQQG-IBGZPJMESA-N. The full InChI is InChI=1S/C23H28N6O2/c30-18-5-10-29(11-6-18)17-3-1-16(2-4-17)20-13-21-22(26-8-7-25-21)23(28-20)27-15-19-14-24-9-12-31-19/h1-4,7-8,13,18-19,24,30H,5-6,9-12,14-15H2,(H,27,28)/t19-/m0/s1.
What are the key properties of 1-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-4-ol?
1-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-4-ol has a molecular weight of 420.52 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-4-ol is sourced from PubChem (CID 86717401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).