About 5-[[5-[3-(morpholin-4-ylmethyl)pyrrol-1-yl]-4-(piperidin-3-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile
5-[[5-[3-(morpholin-4-ylmethyl)pyrrol-1-yl]-4-(piperidin-3-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile (PubChem CID 59613327) has the molecular formula C25H31N9O
and a molecular weight of 473.59 g/mol. Its IUPAC name is 5-[[5-[3-(morpholin-4-ylmethyl)pyrrol-1-yl]-4-(piperidin-3-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile.
Molecular Properties
| Compound Name | 5-[[5-[3-(morpholin-4-ylmethyl)pyrrol-1-yl]-4-(piperidin-3-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile |
|---|
| PubChem CID | 59613327 |
|---|
| Molecular Formula | C25H31N9O |
|---|
| Molecular Weight | 473.59 g/mol |
|---|
| Exact Mass | 473.27 |
|---|
| IUPAC Name | 5-[[5-[3-(morpholin-4-ylmethyl)pyrrol-1-yl]-4-(piperidin-3-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile |
|---|
| SMILES | N#Cc1cnc(Nc2cc(NCC3CCCNC3)c(-n3ccc(CN4CCOCC4)c3)cn2)cn1 |
|---|
| InChI | InChI=1S/C25H31N9O/c26-11-21-14-30-25(16-28-21)32-24-10-22(29-13-19-2-1-4-27-12-19)23(15-31-24)34-5-3-20(18-34)17-33-6-8-35-9-7-33/h3,5,10,14-16,18-19,27H,1-2,4,6-9,12-13,17H2,(H2,29,30,31,32) |
|---|
| InChIKey | VORWXCSTZOOCFR-UHFFFAOYSA-N |
|---|
| XLogP | 2.52 |
|---|
| TPSA | 115.95 Ų |
|---|
| H-Bond Donors | 3 |
|---|
| H-Bond Acceptors | 10 |
|---|
| Rotatable Bonds | 8 |
|---|
| Heavy Atoms | 35 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 473.59 |
| LogP ≤ 5 | 2.52 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 10 |
Analyze 5-[[5-[3-(morpholin-4-ylmethyl)pyrrol-1-yl]-4-(piperidin-3-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile 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 5-[[5-[3-(morpholin-4-ylmethyl)pyrrol-1-yl]-4-(piperidin-3-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-[3-(morpholin-4-ylmethyl)pyrrol-1-yl]-4-(piperidin-3-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile (CID 59613327) is 5-[[5-[3-(morpholin-4-ylmethyl)pyrrol-1-yl]-4-(piperidin-3-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-[3-(morpholin-4-ylmethyl)pyrrol-1-yl]-4-(piperidin-3-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-[3-(morpholin-4-ylmethyl)pyrrol-1-yl]-4-(piperidin-3-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile is N#Cc1cnc(Nc2cc(NCC3CCCNC3)c(-n3ccc(CN4CCOCC4)c3)cn2)cn1.
What is the InChIKey of 5-[[5-[3-(morpholin-4-ylmethyl)pyrrol-1-yl]-4-(piperidin-3-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile?
The InChIKey is VORWXCSTZOOCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N9O/c26-11-21-14-30-25(16-28-21)32-24-10-22(29-13-19-2-1-4-27-12-19)23(15-31-24)34-5-3-20(18-34)17-33-6-8-35-9-7-33/h3,5,10,14-16,18-19,27H,1-2,4,6-9,12-13,17H2,(H2,29,30,31,32).
What are the key properties of 5-[[5-[3-(morpholin-4-ylmethyl)pyrrol-1-yl]-4-(piperidin-3-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile?
5-[[5-[3-(morpholin-4-ylmethyl)pyrrol-1-yl]-4-(piperidin-3-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile has a molecular weight of 473.59 g/mol, XLogP of 2.52, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[3-(morpholin-4-ylmethyl)pyrrol-1-yl]-4-(piperidin-3-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 59613327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).