N,2-dimethyl-7-[5-methyl-6-[3-(2-oxopyrrolidin-1-yl)azetidine-1-carbonyl]pyrrolo[1,2-b]pyridazin-4-yl]oxyindolizine-3-carboxamide

C27H28N6O4 — CID 178115472

IUPACN,2-dimethyl-7-[5-methyl-6-[3-(2-oxopyrrolidin-1-yl)azetidine-1-carbonyl]pyrrolo[1,2-b]pyridazin-4-yl]oxyindolizine-3-carboxamide
SMILESCNC(=O)c1c(C)cc2cc(Oc3ccnn4cc(C(=O)N5CC(N6CCCC6=O)C5)c(C)c34)ccn12
InChIInChI=1S/C27H28N6O4/c1-16-11-18-12-20(7-10-32(18)24(16)26(35)28-3)37-22-6-8-29-33-15-21(17(2)25(22)33)27(36)30-13-19(14-30)31-9-4-5-23(31)34/h6-8,10-12,15,19H,4-5,9,13-14H2,1-3H3,(H,28,35)
InChIKeyVZQMTGRJIVYZAI-UHFFFAOYSA-N
MW500.56 g/mol
LogP2.80
Rot. Bonds5

About N,2-dimethyl-7-[5-methyl-6-[3-(2-oxopyrrolidin-1-yl)azetidine-1-carbonyl]pyrrolo[1,2-b]pyridazin-4-yl]oxyindolizine-3-carboxamide

N,2-dimethyl-7-[5-methyl-6-[3-(2-oxopyrrolidin-1-yl)azetidine-1-carbonyl]pyrrolo[1,2-b]pyridazin-4-yl]oxyindolizine-3-carboxamide (PubChem CID 178115472) has the molecular formula C27H28N6O4 and a molecular weight of 500.56 g/mol. Its IUPAC name is N,2-dimethyl-7-[5-methyl-6-[3-(2-oxopyrrolidin-1-yl)azetidine-1-carbonyl]pyrrolo[1,2-b]pyridazin-4-yl]oxyindolizine-3-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-7-[5-methyl-6-[3-(2-oxopyrrolidin-1-yl)azetidine-1-carbonyl]pyrrolo[1,2-b]pyridazin-4-yl]oxyindolizine-3-carboxamide
PubChem CID178115472
Molecular FormulaC27H28N6O4
Molecular Weight500.56 g/mol
Exact Mass500.22
IUPAC NameN,2-dimethyl-7-[5-methyl-6-[3-(2-oxopyrrolidin-1-yl)azetidine-1-carbonyl]pyrrolo[1,2-b]pyridazin-4-yl]oxyindolizine-3-carboxamide
SMILESCNC(=O)c1c(C)cc2cc(Oc3ccnn4cc(C(=O)N5CC(N6CCCC6=O)C5)c(C)c34)ccn12
InChIInChI=1S/C27H28N6O4/c1-16-11-18-12-20(7-10-32(18)24(16)26(35)28-3)37-22-6-8-29-33-15-21(17(2)25(22)33)27(36)30-13-19(14-30)31-9-4-5-23(31)34/h6-8,10-12,15,19H,4-5,9,13-14H2,1-3H3,(H,28,35)
InChIKeyVZQMTGRJIVYZAI-UHFFFAOYSA-N
XLogP2.80
TPSA100.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.56
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N,2-dimethyl-7-[5-methyl-6-[3-(2-oxopyrrolidin-1-yl)azetidine-1-carbonyl]pyrrolo[1,2-b]pyridazin-4-yl]oxyindolizine-3-carboxamide 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 N,2-dimethyl-7-[5-methyl-6-[3-(2-oxopyrrolidin-1-yl)azetidine-1-carbonyl]pyrrolo[1,2-b]pyridazin-4-yl]oxyindolizine-3-carboxamide?
The IUPAC name of N,2-dimethyl-7-[5-methyl-6-[3-(2-oxopyrrolidin-1-yl)azetidine-1-carbonyl]pyrrolo[1,2-b]pyridazin-4-yl]oxyindolizine-3-carboxamide (CID 178115472) is N,2-dimethyl-7-[5-methyl-6-[3-(2-oxopyrrolidin-1-yl)azetidine-1-carbonyl]pyrrolo[1,2-b]pyridazin-4-yl]oxyindolizine-3-carboxamide.
What is the SMILES notation for N,2-dimethyl-7-[5-methyl-6-[3-(2-oxopyrrolidin-1-yl)azetidine-1-carbonyl]pyrrolo[1,2-b]pyridazin-4-yl]oxyindolizine-3-carboxamide?
The canonical SMILES for N,2-dimethyl-7-[5-methyl-6-[3-(2-oxopyrrolidin-1-yl)azetidine-1-carbonyl]pyrrolo[1,2-b]pyridazin-4-yl]oxyindolizine-3-carboxamide is CNC(=O)c1c(C)cc2cc(Oc3ccnn4cc(C(=O)N5CC(N6CCCC6=O)C5)c(C)c34)ccn12.
What is the InChIKey of N,2-dimethyl-7-[5-methyl-6-[3-(2-oxopyrrolidin-1-yl)azetidine-1-carbonyl]pyrrolo[1,2-b]pyridazin-4-yl]oxyindolizine-3-carboxamide?
The InChIKey is VZQMTGRJIVYZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O4/c1-16-11-18-12-20(7-10-32(18)24(16)26(35)28-3)37-22-6-8-29-33-15-21(17(2)25(22)33)27(36)30-13-19(14-30)31-9-4-5-23(31)34/h6-8,10-12,15,19H,4-5,9,13-14H2,1-3H3,(H,28,35).
What are the key properties of N,2-dimethyl-7-[5-methyl-6-[3-(2-oxopyrrolidin-1-yl)azetidine-1-carbonyl]pyrrolo[1,2-b]pyridazin-4-yl]oxyindolizine-3-carboxamide?
N,2-dimethyl-7-[5-methyl-6-[3-(2-oxopyrrolidin-1-yl)azetidine-1-carbonyl]pyrrolo[1,2-b]pyridazin-4-yl]oxyindolizine-3-carboxamide has a molecular weight of 500.56 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-7-[5-methyl-6-[3-(2-oxopyrrolidin-1-yl)azetidine-1-carbonyl]pyrrolo[1,2-b]pyridazin-4-yl]oxyindolizine-3-carboxamide is sourced from PubChem (CID 178115472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).