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

C25H23N7O4 — CID 67478564

IUPAC1-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[3-methyl-4-(pyridine-3-carbonyl)piperazin-1-yl]ethane-1,2-dione
SMILESCOc1cnc(-c2cnccn2)c2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4cccnc4)C(C)C3)c12
InChIInChI=1S/C25H23N7O4/c1-15-14-31(8-9-32(15)24(34)16-4-3-5-26-10-16)25(35)23(33)17-11-29-22-20(17)19(36-2)13-30-21(22)18-12-27-6-7-28-18/h3-7,10-13,15,29H,8-9,14H2,1-2H3
InChIKeyZKFLYHJJQVCHBK-UHFFFAOYSA-N
MW485.50 g/mol
LogP1.98
Rot. Bonds5

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

1-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[3-methyl-4-(pyridine-3-carbonyl)piperazin-1-yl]ethane-1,2-dione (PubChem CID 67478564) has the molecular formula C25H23N7O4 and a molecular weight of 485.50 g/mol. Its IUPAC name is 1-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[3-methyl-4-(pyridine-3-carbonyl)piperazin-1-yl]ethane-1,2-dione.

Molecular Properties

Compound Name1-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[3-methyl-4-(pyridine-3-carbonyl)piperazin-1-yl]ethane-1,2-dione
PubChem CID67478564
Molecular FormulaC25H23N7O4
Molecular Weight485.50 g/mol
Exact Mass485.18
IUPAC Name1-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[3-methyl-4-(pyridine-3-carbonyl)piperazin-1-yl]ethane-1,2-dione
SMILESCOc1cnc(-c2cnccn2)c2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4cccnc4)C(C)C3)c12
InChIInChI=1S/C25H23N7O4/c1-15-14-31(8-9-32(15)24(34)16-4-3-5-26-10-16)25(35)23(33)17-11-29-22-20(17)19(36-2)13-30-21(22)18-12-27-6-7-28-18/h3-7,10-13,15,29H,8-9,14H2,1-2H3
InChIKeyZKFLYHJJQVCHBK-UHFFFAOYSA-N
XLogP1.98
TPSA134.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.50
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[3-methyl-4-(pyridine-3-carbonyl)piperazin-1-yl]ethane-1,2-dione?
The IUPAC name of 1-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[3-methyl-4-(pyridine-3-carbonyl)piperazin-1-yl]ethane-1,2-dione (CID 67478564) is 1-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[3-methyl-4-(pyridine-3-carbonyl)piperazin-1-yl]ethane-1,2-dione.
What is the SMILES notation for 1-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[3-methyl-4-(pyridine-3-carbonyl)piperazin-1-yl]ethane-1,2-dione?
The canonical SMILES for 1-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[3-methyl-4-(pyridine-3-carbonyl)piperazin-1-yl]ethane-1,2-dione is COc1cnc(-c2cnccn2)c2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4cccnc4)C(C)C3)c12.
What is the InChIKey of 1-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[3-methyl-4-(pyridine-3-carbonyl)piperazin-1-yl]ethane-1,2-dione?
The InChIKey is ZKFLYHJJQVCHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O4/c1-15-14-31(8-9-32(15)24(34)16-4-3-5-26-10-16)25(35)23(33)17-11-29-22-20(17)19(36-2)13-30-21(22)18-12-27-6-7-28-18/h3-7,10-13,15,29H,8-9,14H2,1-2H3.
What are the key properties of 1-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[3-methyl-4-(pyridine-3-carbonyl)piperazin-1-yl]ethane-1,2-dione?
1-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[3-methyl-4-(pyridine-3-carbonyl)piperazin-1-yl]ethane-1,2-dione has a molecular weight of 485.50 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[3-methyl-4-(pyridine-3-carbonyl)piperazin-1-yl]ethane-1,2-dione is sourced from PubChem (CID 67478564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).