N,2-dimethyl-5-[5-methyl-6-[(3S)-3-methylpyrrolidine-1-carbonyl]pyrrolo[1,2-b]pyridazin-4-yl]oxyindole-1-carboxamide

C25H27N5O3 — CID 178114737

IUPACN,2-dimethyl-5-[5-methyl-6-[(3S)-3-methylpyrrolidine-1-carbonyl]pyrrolo[1,2-b]pyridazin-4-yl]oxyindole-1-carboxamide
SMILESCNC(=O)n1c(C)cc2cc(Oc3ccnn4cc(C(=O)N5CC[C@H](C)C5)c(C)c34)ccc21
InChIInChI=1S/C25H27N5O3/c1-15-8-10-28(13-15)24(31)20-14-29-23(17(20)3)22(7-9-27-29)33-19-5-6-21-18(12-19)11-16(2)30(21)25(32)26-4/h5-7,9,11-12,14-15H,8,10,13H2,1-4H3,(H,26,32)/t15-/m0/s1
InChIKeyRMOODSZTEGQKBK-HNNXBMFYSA-N
MW445.52 g/mol
LogP4.37
Rot. Bonds3

About N,2-dimethyl-5-[5-methyl-6-[(3S)-3-methylpyrrolidine-1-carbonyl]pyrrolo[1,2-b]pyridazin-4-yl]oxyindole-1-carboxamide

N,2-dimethyl-5-[5-methyl-6-[(3S)-3-methylpyrrolidine-1-carbonyl]pyrrolo[1,2-b]pyridazin-4-yl]oxyindole-1-carboxamide (PubChem CID 178114737) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is N,2-dimethyl-5-[5-methyl-6-[(3S)-3-methylpyrrolidine-1-carbonyl]pyrrolo[1,2-b]pyridazin-4-yl]oxyindole-1-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-5-[5-methyl-6-[(3S)-3-methylpyrrolidine-1-carbonyl]pyrrolo[1,2-b]pyridazin-4-yl]oxyindole-1-carboxamide
PubChem CID178114737
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC NameN,2-dimethyl-5-[5-methyl-6-[(3S)-3-methylpyrrolidine-1-carbonyl]pyrrolo[1,2-b]pyridazin-4-yl]oxyindole-1-carboxamide
SMILESCNC(=O)n1c(C)cc2cc(Oc3ccnn4cc(C(=O)N5CC[C@H](C)C5)c(C)c34)ccc21
InChIInChI=1S/C25H27N5O3/c1-15-8-10-28(13-15)24(31)20-14-29-23(17(20)3)22(7-9-27-29)33-19-5-6-21-18(12-19)11-16(2)30(21)25(32)26-4/h5-7,9,11-12,14-15H,8,10,13H2,1-4H3,(H,26,32)/t15-/m0/s1
InChIKeyRMOODSZTEGQKBK-HNNXBMFYSA-N
XLogP4.37
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(1,2-dimethylindol-5-yl)oxy-5-methylpyrrolo[1,2-b]pyridazin-6-yl]-(3-methylpyrrolidin-1-yl)methanone;formamide
CID 178115170
N-cyclobutyl-N,5-dimethyl-4-[2-methyl-1-(methylcarbamoyl)indol-5-yl]oxypyrrolo[1,2-b]pyridazine-6-carboxamide
CID 178115223
N,2-dimethyl-7-[5-methyl-6-(3-methylpyrrolidine-1-carbonyl)pyrrolo[1,2-b]pyridazin-4-yl]oxyindolizine-3-carboxamide
CID 178115439
ethane;5-[6-(3-hydroxy-2-methylazetidine-1-carbonyl)-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-2-methylindole-1-carbaldehyde;N-methylcyclopropanamine
CID 178114948
5-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide
CID 10288344
1-[2-chloro-4-[6-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]-3-cyclopropylurea
CID 178115470
1-[2-chloro-4-[6-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]-3-cyclopropylurea
CID 178115457
1-[4-(1H-indazol-5-yloxy)-5-methylpyrrolo[1,2-b]pyridazine-6-carbonyl]azetidine-3-carbonitrile
CID 178115410
5-[2-(3-hydroxyazetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide
CID 20746036
[(3R)-3-hydroxy-3-methylpyrrolidin-1-yl]-[5-methyl-4-[(2-methyl-1H-indol-5-yl)oxy]pyrrolo[1,2-b]pyridazin-6-yl]methanone
CID 178114785
6-[6-[(2R,3R)-3-hydroxy-2-methylazetidine-1-carbonyl]-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-N,1-dimethylindazole-3-carboxamide
CID 178115347
6-[6-[3-[[(Z)-3-aminoprop-2-enylidene]amino]azetidine-1-carbonyl]-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 178114893

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-5-[5-methyl-6-[(3S)-3-methylpyrrolidine-1-carbonyl]pyrrolo[1,2-b]pyridazin-4-yl]oxyindole-1-carboxamide?
The IUPAC name of N,2-dimethyl-5-[5-methyl-6-[(3S)-3-methylpyrrolidine-1-carbonyl]pyrrolo[1,2-b]pyridazin-4-yl]oxyindole-1-carboxamide (CID 178114737) is N,2-dimethyl-5-[5-methyl-6-[(3S)-3-methylpyrrolidine-1-carbonyl]pyrrolo[1,2-b]pyridazin-4-yl]oxyindole-1-carboxamide.
What is the SMILES notation for N,2-dimethyl-5-[5-methyl-6-[(3S)-3-methylpyrrolidine-1-carbonyl]pyrrolo[1,2-b]pyridazin-4-yl]oxyindole-1-carboxamide?
The canonical SMILES for N,2-dimethyl-5-[5-methyl-6-[(3S)-3-methylpyrrolidine-1-carbonyl]pyrrolo[1,2-b]pyridazin-4-yl]oxyindole-1-carboxamide is CNC(=O)n1c(C)cc2cc(Oc3ccnn4cc(C(=O)N5CC[C@H](C)C5)c(C)c34)ccc21.
What is the InChIKey of N,2-dimethyl-5-[5-methyl-6-[(3S)-3-methylpyrrolidine-1-carbonyl]pyrrolo[1,2-b]pyridazin-4-yl]oxyindole-1-carboxamide?
The InChIKey is RMOODSZTEGQKBK-HNNXBMFYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-15-8-10-28(13-15)24(31)20-14-29-23(17(20)3)22(7-9-27-29)33-19-5-6-21-18(12-19)11-16(2)30(21)25(32)26-4/h5-7,9,11-12,14-15H,8,10,13H2,1-4H3,(H,26,32)/t15-/m0/s1.
What are the key properties of N,2-dimethyl-5-[5-methyl-6-[(3S)-3-methylpyrrolidine-1-carbonyl]pyrrolo[1,2-b]pyridazin-4-yl]oxyindole-1-carboxamide?
N,2-dimethyl-5-[5-methyl-6-[(3S)-3-methylpyrrolidine-1-carbonyl]pyrrolo[1,2-b]pyridazin-4-yl]oxyindole-1-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-5-[5-methyl-6-[(3S)-3-methylpyrrolidine-1-carbonyl]pyrrolo[1,2-b]pyridazin-4-yl]oxyindole-1-carboxamide is sourced from PubChem (CID 178114737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).