1-(4,7-dimethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[(2-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]ethane-1,2-dione

C30H29N3O5 — CID 5279874

IUPAC1-(4,7-dimethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[(2-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]ethane-1,2-dione
SMILESCOc1ccccc1C(=C1CCN(C(=O)C(=O)c2c[nH]c3c(OC)ncc(OC)c23)CC1)c1ccccc1
InChIInChI=1S/C30H29N3O5/c1-36-23-12-8-7-11-21(23)25(19-9-5-4-6-10-19)20-13-15-33(16-14-20)30(35)28(34)22-17-31-27-26(22)24(37-2)18-32-29(27)38-3/h4-12,17-18,31H,13-16H2,1-3H3
InChIKeyBLOGMEJIMVVDCK-UHFFFAOYSA-N
MW511.58 g/mol
LogP4.90
Rot. Bonds7

About 1-(4,7-dimethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[(2-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]ethane-1,2-dione

1-(4,7-dimethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[(2-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]ethane-1,2-dione (PubChem CID 5279874) has the molecular formula C30H29N3O5 and a molecular weight of 511.58 g/mol. Its IUPAC name is 1-(4,7-dimethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[(2-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]ethane-1,2-dione.

Molecular Properties

Compound Name1-(4,7-dimethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[(2-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]ethane-1,2-dione
PubChem CID5279874
Molecular FormulaC30H29N3O5
Molecular Weight511.58 g/mol
Exact Mass511.21
IUPAC Name1-(4,7-dimethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[(2-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]ethane-1,2-dione
SMILESCOc1ccccc1C(=C1CCN(C(=O)C(=O)c2c[nH]c3c(OC)ncc(OC)c23)CC1)c1ccccc1
InChIInChI=1S/C30H29N3O5/c1-36-23-12-8-7-11-21(23)25(19-9-5-4-6-10-19)20-13-15-33(16-14-20)30(35)28(34)22-17-31-27-26(22)24(37-2)18-32-29(27)38-3/h4-12,17-18,31H,13-16H2,1-3H3
InChIKeyBLOGMEJIMVVDCK-UHFFFAOYSA-N
XLogP4.90
TPSA93.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.58
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(4,7-dimethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[(2-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]ethane-1,2-dione 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 1-(4,7-dimethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[(2-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]ethane-1,2-dione?
The IUPAC name of 1-(4,7-dimethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[(2-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]ethane-1,2-dione (CID 5279874) is 1-(4,7-dimethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[(2-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]ethane-1,2-dione.
What is the SMILES notation for 1-(4,7-dimethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[(2-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]ethane-1,2-dione?
The canonical SMILES for 1-(4,7-dimethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[(2-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]ethane-1,2-dione is COc1ccccc1C(=C1CCN(C(=O)C(=O)c2c[nH]c3c(OC)ncc(OC)c23)CC1)c1ccccc1.
What is the InChIKey of 1-(4,7-dimethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[(2-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]ethane-1,2-dione?
The InChIKey is BLOGMEJIMVVDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O5/c1-36-23-12-8-7-11-21(23)25(19-9-5-4-6-10-19)20-13-15-33(16-14-20)30(35)28(34)22-17-31-27-26(22)24(37-2)18-32-29(27)38-3/h4-12,17-18,31H,13-16H2,1-3H3.
What are the key properties of 1-(4,7-dimethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[(2-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]ethane-1,2-dione?
1-(4,7-dimethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[(2-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]ethane-1,2-dione has a molecular weight of 511.58 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,7-dimethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[(2-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]ethane-1,2-dione is sourced from PubChem (CID 5279874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).