[(3S)-1-[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]pyrrolidin-3-yl]methanamine

C22H26N6O — CID 71113335

IUPAC[(3S)-1-[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]pyrrolidin-3-yl]methanamine
SMILESNC[C@@H]1CCN(c2nc(-c3ccc(N4CCOCC4)cc3)cc3nccnc23)C1
InChIInChI=1S/C22H26N6O/c23-14-16-5-8-28(15-16)22-21-20(24-6-7-25-21)13-19(26-22)17-1-3-18(4-2-17)27-9-11-29-12-10-27/h1-4,6-7,13,16H,5,8-12,14-15,23H2/t16-/m0/s1
InChIKeyDNXJVCZBTFVYFU-INIZCTEOSA-N
MW390.49 g/mol
LogP2.31
Rot. Bonds4

About [(3S)-1-[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]pyrrolidin-3-yl]methanamine

[(3S)-1-[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]pyrrolidin-3-yl]methanamine (PubChem CID 71113335) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is [(3S)-1-[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3S)-1-[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]pyrrolidin-3-yl]methanamine
PubChem CID71113335
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name[(3S)-1-[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]pyrrolidin-3-yl]methanamine
SMILESNC[C@@H]1CCN(c2nc(-c3ccc(N4CCOCC4)cc3)cc3nccnc23)C1
InChIInChI=1S/C22H26N6O/c23-14-16-5-8-28(15-16)22-21-20(24-6-7-25-21)13-19(26-22)17-1-3-18(4-2-17)27-9-11-29-12-10-27/h1-4,6-7,13,16H,5,8-12,14-15,23H2/t16-/m0/s1
InChIKeyDNXJVCZBTFVYFU-INIZCTEOSA-N
XLogP2.31
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [(3S)-1-[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]pyrrolidin-3-yl]methanamine (CID 71113335) is [(3S)-1-[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(3S)-1-[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [(3S)-1-[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]pyrrolidin-3-yl]methanamine is NC[C@@H]1CCN(c2nc(-c3ccc(N4CCOCC4)cc3)cc3nccnc23)C1.
What is the InChIKey of [(3S)-1-[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]pyrrolidin-3-yl]methanamine?
The InChIKey is DNXJVCZBTFVYFU-INIZCTEOSA-N. The full InChI is InChI=1S/C22H26N6O/c23-14-16-5-8-28(15-16)22-21-20(24-6-7-25-21)13-19(26-22)17-1-3-18(4-2-17)27-9-11-29-12-10-27/h1-4,6-7,13,16H,5,8-12,14-15,23H2/t16-/m0/s1.
What are the key properties of [(3S)-1-[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]pyrrolidin-3-yl]methanamine?
[(3S)-1-[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]pyrrolidin-3-yl]methanamine has a molecular weight of 390.49 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 71113335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).