1-(3-amino-3-oxopropyl)-4-(3-phenylphenyl)pyrrolo[2,3-c]pyridine-2-carboxamide;methyl 1-(3-methoxy-3-oxopropyl)-4-(3-phenylphenyl)pyrrolo[2,3-c]pyridine-2-carboxylate

C48H42N6O6 — CID 159783931

IUPAC1-(3-amino-3-oxopropyl)-4-(3-phenylphenyl)pyrrolo[2,3-c]pyridine-2-carboxamide;methyl 1-(3-methoxy-3-oxopropyl)-4-(3-phenylphenyl)pyrrolo[2,3-c]pyridine-2-carboxylate
SMILESCOC(=O)CCn1c(C(=O)OC)cc2c(-c3cccc(-c4ccccc4)c3)cncc21.NC(=O)CCn1c(C(N)=O)cc2c(-c3cccc(-c4ccccc4)c3)cncc21
InChIInChI=1S/C25H22N2O4.C23H20N4O2/c1-30-24(28)11-12-27-22(25(29)31-2)14-20-21(15-26-16-23(20)27)19-10-6-9-18(13-19)17-7-4-3-5-8-17;24-22(28)9-10-27-20(23(25)29)12-18-19(13-26-14-21(18)27)17-8-4-7-16(11-17)15-5-2-1-3-6-15/h3-10,13-16H,11-12H2,1-2H3;1-8,11-14H,9-10H2,(H2,24,28)(H2,25,29)
InChIKeyNHSFPYWLIOIQST-UHFFFAOYSA-N
MW798.90 g/mol
LogP8.06
Rot. Bonds12

About 1-(3-amino-3-oxopropyl)-4-(3-phenylphenyl)pyrrolo[2,3-c]pyridine-2-carboxamide;methyl 1-(3-methoxy-3-oxopropyl)-4-(3-phenylphenyl)pyrrolo[2,3-c]pyridine-2-carboxylate

1-(3-amino-3-oxopropyl)-4-(3-phenylphenyl)pyrrolo[2,3-c]pyridine-2-carboxamide;methyl 1-(3-methoxy-3-oxopropyl)-4-(3-phenylphenyl)pyrrolo[2,3-c]pyridine-2-carboxylate (PubChem CID 159783931) has the molecular formula C48H42N6O6 and a molecular weight of 798.90 g/mol. Its IUPAC name is 1-(3-amino-3-oxopropyl)-4-(3-phenylphenyl)pyrrolo[2,3-c]pyridine-2-carboxamide;methyl 1-(3-methoxy-3-oxopropyl)-4-(3-phenylphenyl)pyrrolo[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Name1-(3-amino-3-oxopropyl)-4-(3-phenylphenyl)pyrrolo[2,3-c]pyridine-2-carboxamide;methyl 1-(3-methoxy-3-oxopropyl)-4-(3-phenylphenyl)pyrrolo[2,3-c]pyridine-2-carboxylate
PubChem CID159783931
Molecular FormulaC48H42N6O6
Molecular Weight798.90 g/mol
Exact Mass798.32
IUPAC Name1-(3-amino-3-oxopropyl)-4-(3-phenylphenyl)pyrrolo[2,3-c]pyridine-2-carboxamide;methyl 1-(3-methoxy-3-oxopropyl)-4-(3-phenylphenyl)pyrrolo[2,3-c]pyridine-2-carboxylate
SMILESCOC(=O)CCn1c(C(=O)OC)cc2c(-c3cccc(-c4ccccc4)c3)cncc21.NC(=O)CCn1c(C(N)=O)cc2c(-c3cccc(-c4ccccc4)c3)cncc21
InChIInChI=1S/C25H22N2O4.C23H20N4O2/c1-30-24(28)11-12-27-22(25(29)31-2)14-20-21(15-26-16-23(20)27)19-10-6-9-18(13-19)17-7-4-3-5-8-17;24-22(28)9-10-27-20(23(25)29)12-18-19(13-26-14-21(18)27)17-8-4-7-16(11-17)15-5-2-1-3-6-15/h3-10,13-16H,11-12H2,1-2H3;1-8,11-14H,9-10H2,(H2,24,28)(H2,25,29)
InChIKeyNHSFPYWLIOIQST-UHFFFAOYSA-N
XLogP8.06
TPSA174.42 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.90
LogP ≤ 58.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-(3-amino-3-oxopropyl)-4-(3-phenylphenyl)pyrrolo[2,3-c]pyridine-2-carboxamide;methyl 1-(3-methoxy-3-oxopropyl)-4-(3-phenylphenyl)pyrrolo[2,3-c]pyridine-2-carboxylate 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-(3-amino-3-oxopropyl)-4-(3-phenylphenyl)pyrrolo[2,3-c]pyridine-2-carboxamide;methyl 1-(3-methoxy-3-oxopropyl)-4-(3-phenylphenyl)pyrrolo[2,3-c]pyridine-2-carboxylate?
The IUPAC name of 1-(3-amino-3-oxopropyl)-4-(3-phenylphenyl)pyrrolo[2,3-c]pyridine-2-carboxamide;methyl 1-(3-methoxy-3-oxopropyl)-4-(3-phenylphenyl)pyrrolo[2,3-c]pyridine-2-carboxylate (CID 159783931) is 1-(3-amino-3-oxopropyl)-4-(3-phenylphenyl)pyrrolo[2,3-c]pyridine-2-carboxamide;methyl 1-(3-methoxy-3-oxopropyl)-4-(3-phenylphenyl)pyrrolo[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for 1-(3-amino-3-oxopropyl)-4-(3-phenylphenyl)pyrrolo[2,3-c]pyridine-2-carboxamide;methyl 1-(3-methoxy-3-oxopropyl)-4-(3-phenylphenyl)pyrrolo[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for 1-(3-amino-3-oxopropyl)-4-(3-phenylphenyl)pyrrolo[2,3-c]pyridine-2-carboxamide;methyl 1-(3-methoxy-3-oxopropyl)-4-(3-phenylphenyl)pyrrolo[2,3-c]pyridine-2-carboxylate is COC(=O)CCn1c(C(=O)OC)cc2c(-c3cccc(-c4ccccc4)c3)cncc21.NC(=O)CCn1c(C(N)=O)cc2c(-c3cccc(-c4ccccc4)c3)cncc21.
What is the InChIKey of 1-(3-amino-3-oxopropyl)-4-(3-phenylphenyl)pyrrolo[2,3-c]pyridine-2-carboxamide;methyl 1-(3-methoxy-3-oxopropyl)-4-(3-phenylphenyl)pyrrolo[2,3-c]pyridine-2-carboxylate?
The InChIKey is NHSFPYWLIOIQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4.C23H20N4O2/c1-30-24(28)11-12-27-22(25(29)31-2)14-20-21(15-26-16-23(20)27)19-10-6-9-18(13-19)17-7-4-3-5-8-17;24-22(28)9-10-27-20(23(25)29)12-18-19(13-26-14-21(18)27)17-8-4-7-16(11-17)15-5-2-1-3-6-15/h3-10,13-16H,11-12H2,1-2H3;1-8,11-14H,9-10H2,(H2,24,28)(H2,25,29).
What are the key properties of 1-(3-amino-3-oxopropyl)-4-(3-phenylphenyl)pyrrolo[2,3-c]pyridine-2-carboxamide;methyl 1-(3-methoxy-3-oxopropyl)-4-(3-phenylphenyl)pyrrolo[2,3-c]pyridine-2-carboxylate?
1-(3-amino-3-oxopropyl)-4-(3-phenylphenyl)pyrrolo[2,3-c]pyridine-2-carboxamide;methyl 1-(3-methoxy-3-oxopropyl)-4-(3-phenylphenyl)pyrrolo[2,3-c]pyridine-2-carboxylate has a molecular weight of 798.90 g/mol, XLogP of 8.06, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-3-oxopropyl)-4-(3-phenylphenyl)pyrrolo[2,3-c]pyridine-2-carboxamide;methyl 1-(3-methoxy-3-oxopropyl)-4-(3-phenylphenyl)pyrrolo[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 159783931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).