1-[4-methoxy-7-(4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenyl-2,3-dihydrotetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione

C29H28N10O4 — CID 71157264

IUPAC1-[4-methoxy-7-(4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenyl-2,3-dihydrotetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione
SMILESCOc1cnc(-c2ncc(OC)c3c(C(=O)C(=O)N4CCN(C5=NNNN5c5ccccc5)CC4)c[nH]c23)c2[nH]ccc12
InChIInChI=1S/C29H28N10O4/c1-42-20-15-32-25(23-18(20)8-9-30-23)26-24-22(21(43-2)16-33-26)19(14-31-24)27(40)28(41)37-10-12-38(13-11-37)29-34-35-36-39(29)17-6-4-3-5-7-17/h3-9,14-16,30-31,35-36H,10-13H2,1-2H3
InChIKeyUYDSSQITWHSRIP-UHFFFAOYSA-N
MW580.61 g/mol
LogP2.25
Rot. Bonds6

About 1-[4-methoxy-7-(4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenyl-2,3-dihydrotetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione

1-[4-methoxy-7-(4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenyl-2,3-dihydrotetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione (PubChem CID 71157264) has the molecular formula C29H28N10O4 and a molecular weight of 580.61 g/mol. Its IUPAC name is 1-[4-methoxy-7-(4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenyl-2,3-dihydrotetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione.

Molecular Properties

Compound Name1-[4-methoxy-7-(4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenyl-2,3-dihydrotetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione
PubChem CID71157264
Molecular FormulaC29H28N10O4
Molecular Weight580.61 g/mol
Exact Mass580.23
IUPAC Name1-[4-methoxy-7-(4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenyl-2,3-dihydrotetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione
SMILESCOc1cnc(-c2ncc(OC)c3c(C(=O)C(=O)N4CCN(C5=NNNN5c5ccccc5)CC4)c[nH]c23)c2[nH]ccc12
InChIInChI=1S/C29H28N10O4/c1-42-20-15-32-25(23-18(20)8-9-30-23)26-24-22(21(43-2)16-33-26)19(14-31-24)27(40)28(41)37-10-12-38(13-11-37)29-34-35-36-39(29)17-6-4-3-5-7-17/h3-9,14-16,30-31,35-36H,10-13H2,1-2H3
InChIKeyUYDSSQITWHSRIP-UHFFFAOYSA-N
XLogP2.25
TPSA156.10 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.61
LogP ≤ 52.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 1-[4-methoxy-7-(4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenyl-2,3-dihydrotetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-7-(4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenyl-2,3-dihydrotetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione?
The IUPAC name of 1-[4-methoxy-7-(4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenyl-2,3-dihydrotetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione (CID 71157264) is 1-[4-methoxy-7-(4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenyl-2,3-dihydrotetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione.
What is the SMILES notation for 1-[4-methoxy-7-(4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenyl-2,3-dihydrotetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione?
The canonical SMILES for 1-[4-methoxy-7-(4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenyl-2,3-dihydrotetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione is COc1cnc(-c2ncc(OC)c3c(C(=O)C(=O)N4CCN(C5=NNNN5c5ccccc5)CC4)c[nH]c23)c2[nH]ccc12.
What is the InChIKey of 1-[4-methoxy-7-(4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenyl-2,3-dihydrotetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione?
The InChIKey is UYDSSQITWHSRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N10O4/c1-42-20-15-32-25(23-18(20)8-9-30-23)26-24-22(21(43-2)16-33-26)19(14-31-24)27(40)28(41)37-10-12-38(13-11-37)29-34-35-36-39(29)17-6-4-3-5-7-17/h3-9,14-16,30-31,35-36H,10-13H2,1-2H3.
What are the key properties of 1-[4-methoxy-7-(4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenyl-2,3-dihydrotetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione?
1-[4-methoxy-7-(4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenyl-2,3-dihydrotetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione has a molecular weight of 580.61 g/mol, XLogP of 2.25, 6 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-7-(4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenyl-2,3-dihydrotetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione is sourced from PubChem (CID 71157264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).