N-cyclobutyl-N,5-dimethyl-4-[2-methyl-1-(methylcarbamoyl)indol-5-yl]oxypyrrolo[1,2-b]pyridazine-6-carboxamide

C25H27N5O3 — CID 178115223

IUPACN-cyclobutyl-N,5-dimethyl-4-[2-methyl-1-(methylcarbamoyl)indol-5-yl]oxypyrrolo[1,2-b]pyridazine-6-carboxamide
SMILESCNC(=O)n1c(C)cc2cc(Oc3ccnn4cc(C(=O)N(C)C5CCC5)c(C)c34)ccc21
InChIInChI=1S/C25H27N5O3/c1-15-12-17-13-19(8-9-21(17)30(15)25(32)26-3)33-22-10-11-27-29-14-20(16(2)23(22)29)24(31)28(4)18-6-5-7-18/h8-14,18H,5-7H2,1-4H3,(H,26,32)
InChIKeyDHQILTBKKWKZOM-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.51
Rot. Bonds4

About N-cyclobutyl-N,5-dimethyl-4-[2-methyl-1-(methylcarbamoyl)indol-5-yl]oxypyrrolo[1,2-b]pyridazine-6-carboxamide

N-cyclobutyl-N,5-dimethyl-4-[2-methyl-1-(methylcarbamoyl)indol-5-yl]oxypyrrolo[1,2-b]pyridazine-6-carboxamide (PubChem CID 178115223) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-cyclobutyl-N,5-dimethyl-4-[2-methyl-1-(methylcarbamoyl)indol-5-yl]oxypyrrolo[1,2-b]pyridazine-6-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-N,5-dimethyl-4-[2-methyl-1-(methylcarbamoyl)indol-5-yl]oxypyrrolo[1,2-b]pyridazine-6-carboxamide
PubChem CID178115223
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC NameN-cyclobutyl-N,5-dimethyl-4-[2-methyl-1-(methylcarbamoyl)indol-5-yl]oxypyrrolo[1,2-b]pyridazine-6-carboxamide
SMILESCNC(=O)n1c(C)cc2cc(Oc3ccnn4cc(C(=O)N(C)C5CCC5)c(C)c34)ccc21
InChIInChI=1S/C25H27N5O3/c1-15-12-17-13-19(8-9-21(17)30(15)25(32)26-3)33-22-10-11-27-29-14-20(16(2)23(22)29)24(31)28(4)18-6-5-7-18/h8-14,18H,5-7H2,1-4H3,(H,26,32)
InChIKeyDHQILTBKKWKZOM-UHFFFAOYSA-N
XLogP4.51
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N,5-dimethyl-4-[2-methyl-1-(methylcarbamoyl)indol-5-yl]oxypyrrolo[1,2-b]pyridazine-6-carboxamide?
The IUPAC name of N-cyclobutyl-N,5-dimethyl-4-[2-methyl-1-(methylcarbamoyl)indol-5-yl]oxypyrrolo[1,2-b]pyridazine-6-carboxamide (CID 178115223) is N-cyclobutyl-N,5-dimethyl-4-[2-methyl-1-(methylcarbamoyl)indol-5-yl]oxypyrrolo[1,2-b]pyridazine-6-carboxamide.
What is the SMILES notation for N-cyclobutyl-N,5-dimethyl-4-[2-methyl-1-(methylcarbamoyl)indol-5-yl]oxypyrrolo[1,2-b]pyridazine-6-carboxamide?
The canonical SMILES for N-cyclobutyl-N,5-dimethyl-4-[2-methyl-1-(methylcarbamoyl)indol-5-yl]oxypyrrolo[1,2-b]pyridazine-6-carboxamide is CNC(=O)n1c(C)cc2cc(Oc3ccnn4cc(C(=O)N(C)C5CCC5)c(C)c34)ccc21.
What is the InChIKey of N-cyclobutyl-N,5-dimethyl-4-[2-methyl-1-(methylcarbamoyl)indol-5-yl]oxypyrrolo[1,2-b]pyridazine-6-carboxamide?
The InChIKey is DHQILTBKKWKZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-15-12-17-13-19(8-9-21(17)30(15)25(32)26-3)33-22-10-11-27-29-14-20(16(2)23(22)29)24(31)28(4)18-6-5-7-18/h8-14,18H,5-7H2,1-4H3,(H,26,32).
What are the key properties of N-cyclobutyl-N,5-dimethyl-4-[2-methyl-1-(methylcarbamoyl)indol-5-yl]oxypyrrolo[1,2-b]pyridazine-6-carboxamide?
N-cyclobutyl-N,5-dimethyl-4-[2-methyl-1-(methylcarbamoyl)indol-5-yl]oxypyrrolo[1,2-b]pyridazine-6-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N,5-dimethyl-4-[2-methyl-1-(methylcarbamoyl)indol-5-yl]oxypyrrolo[1,2-b]pyridazine-6-carboxamide is sourced from PubChem (CID 178115223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).