1-[7-[5-(dimethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione

C26H26N8O3 — CID 5280210

IUPAC1-[7-[5-(dimethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
SMILESC[C@H]1CN(C(=O)c2ccccn2)CCN1C(=O)C(=O)c1c[nH]c2c(-c3cnc(N(C)C)cn3)nccc12
InChIInChI=1S/C26H26N8O3/c1-16-15-33(25(36)19-6-4-5-8-27-19)10-11-34(16)26(37)24(35)18-12-31-22-17(18)7-9-28-23(22)20-13-30-21(14-29-20)32(2)3/h4-9,12-14,16,31H,10-11,15H2,1-3H3/t16-/m0/s1
InChIKeyRFVHZZGHRSNMHA-INIZCTEOSA-N
MW498.55 g/mol
LogP2.04
Rot. Bonds5

About 1-[7-[5-(dimethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione

1-[7-[5-(dimethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione (PubChem CID 5280210) has the molecular formula C26H26N8O3 and a molecular weight of 498.55 g/mol. Its IUPAC name is 1-[7-[5-(dimethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione.

Molecular Properties

Compound Name1-[7-[5-(dimethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
PubChem CID5280210
Molecular FormulaC26H26N8O3
Molecular Weight498.55 g/mol
Exact Mass498.21
IUPAC Name1-[7-[5-(dimethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
SMILESC[C@H]1CN(C(=O)c2ccccn2)CCN1C(=O)C(=O)c1c[nH]c2c(-c3cnc(N(C)C)cn3)nccc12
InChIInChI=1S/C26H26N8O3/c1-16-15-33(25(36)19-6-4-5-8-27-19)10-11-34(16)26(37)24(35)18-12-31-22-17(18)7-9-28-23(22)20-13-30-21(14-29-20)32(2)3/h4-9,12-14,16,31H,10-11,15H2,1-3H3/t16-/m0/s1
InChIKeyRFVHZZGHRSNMHA-INIZCTEOSA-N
XLogP2.04
TPSA128.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.55
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-[7-[5-(dimethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[7-[5-(dimethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione?
The IUPAC name of 1-[7-[5-(dimethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione (CID 5280210) is 1-[7-[5-(dimethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione.
What is the SMILES notation for 1-[7-[5-(dimethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione?
The canonical SMILES for 1-[7-[5-(dimethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione is C[C@H]1CN(C(=O)c2ccccn2)CCN1C(=O)C(=O)c1c[nH]c2c(-c3cnc(N(C)C)cn3)nccc12.
What is the InChIKey of 1-[7-[5-(dimethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione?
The InChIKey is RFVHZZGHRSNMHA-INIZCTEOSA-N. The full InChI is InChI=1S/C26H26N8O3/c1-16-15-33(25(36)19-6-4-5-8-27-19)10-11-34(16)26(37)24(35)18-12-31-22-17(18)7-9-28-23(22)20-13-30-21(14-29-20)32(2)3/h4-9,12-14,16,31H,10-11,15H2,1-3H3/t16-/m0/s1.
What are the key properties of 1-[7-[5-(dimethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione?
1-[7-[5-(dimethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione has a molecular weight of 498.55 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[5-(dimethylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione is sourced from PubChem (CID 5280210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).