[4-(1,2-dimethylindol-5-yl)oxy-5-methylpyrrolo[1,2-b]pyridazin-6-yl]-(3-methylpyrrolidin-1-yl)methanone;formamide

C25H29N5O3 — CID 178115170

IUPAC[4-(1,2-dimethylindol-5-yl)oxy-5-methylpyrrolo[1,2-b]pyridazin-6-yl]-(3-methylpyrrolidin-1-yl)methanone;formamide
SMILESCc1c(C(=O)N2CCC(C)C2)cn2nccc(Oc3ccc4c(c3)cc(C)n4C)c12.NC=O
InChIInChI=1S/C24H26N4O2.CH3NO/c1-15-8-10-27(13-15)24(29)20-14-28-23(17(20)3)22(7-9-25-28)30-19-5-6-21-18(12-19)11-16(2)26(21)4;2-1-3/h5-7,9,11-12,14-15H,8,10,13H2,1-4H3;1H,(H2,2,3)
InChIKeyWBZDJKPIHKJCTJ-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.82
Rot. Bonds3

About [4-(1,2-dimethylindol-5-yl)oxy-5-methylpyrrolo[1,2-b]pyridazin-6-yl]-(3-methylpyrrolidin-1-yl)methanone;formamide

[4-(1,2-dimethylindol-5-yl)oxy-5-methylpyrrolo[1,2-b]pyridazin-6-yl]-(3-methylpyrrolidin-1-yl)methanone;formamide (PubChem CID 178115170) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is [4-(1,2-dimethylindol-5-yl)oxy-5-methylpyrrolo[1,2-b]pyridazin-6-yl]-(3-methylpyrrolidin-1-yl)methanone;formamide.

Molecular Properties

Compound Name[4-(1,2-dimethylindol-5-yl)oxy-5-methylpyrrolo[1,2-b]pyridazin-6-yl]-(3-methylpyrrolidin-1-yl)methanone;formamide
PubChem CID178115170
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name[4-(1,2-dimethylindol-5-yl)oxy-5-methylpyrrolo[1,2-b]pyridazin-6-yl]-(3-methylpyrrolidin-1-yl)methanone;formamide
SMILESCc1c(C(=O)N2CCC(C)C2)cn2nccc(Oc3ccc4c(c3)cc(C)n4C)c12.NC=O
InChIInChI=1S/C24H26N4O2.CH3NO/c1-15-8-10-27(13-15)24(29)20-14-28-23(17(20)3)22(7-9-25-28)30-19-5-6-21-18(12-19)11-16(2)26(21)4;2-1-3/h5-7,9,11-12,14-15H,8,10,13H2,1-4H3;1H,(H2,2,3)
InChIKeyWBZDJKPIHKJCTJ-UHFFFAOYSA-N
XLogP3.82
TPSA94.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [4-(1,2-dimethylindol-5-yl)oxy-5-methylpyrrolo[1,2-b]pyridazin-6-yl]-(3-methylpyrrolidin-1-yl)methanone;formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,2-dimethyl-5-[5-methyl-6-[(3S)-3-methylpyrrolidine-1-carbonyl]pyrrolo[1,2-b]pyridazin-4-yl]oxyindole-1-carboxamide
CID 178114737
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
N,2-dimethyl-7-[5-methyl-6-(3-methylpyrrolidine-1-carbonyl)pyrrolo[1,2-b]pyridazin-4-yl]oxyindolizine-3-carboxamide
CID 178115439
N-cyclobutyl-N,5-dimethyl-4-[2-methyl-1-(methylcarbamoyl)indol-5-yl]oxypyrrolo[1,2-b]pyridazine-6-carboxamide
CID 178115223
[4-[3-chloro-4-(cyclopropylamino)phenoxy]-5-methylpyrrolo[1,2-b]pyridazin-6-yl]-(3-hydroxy-2-methylpyrrolidin-1-yl)methanone;formamide
CID 178115296
1-[4-(1H-indazol-5-yloxy)-5-methylpyrrolo[1,2-b]pyridazine-6-carbonyl]azetidine-3-carbonitrile
CID 178115410
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
[(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
N-cyclobutyl-6-[6-[(2R,3R)-3-hydroxy-2-methylpyrrolidine-1-carbonyl]-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxynaphthalene-1-carboxamide
CID 178115558
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 [4-(1,2-dimethylindol-5-yl)oxy-5-methylpyrrolo[1,2-b]pyridazin-6-yl]-(3-methylpyrrolidin-1-yl)methanone;formamide?
The IUPAC name of [4-(1,2-dimethylindol-5-yl)oxy-5-methylpyrrolo[1,2-b]pyridazin-6-yl]-(3-methylpyrrolidin-1-yl)methanone;formamide (CID 178115170) is [4-(1,2-dimethylindol-5-yl)oxy-5-methylpyrrolo[1,2-b]pyridazin-6-yl]-(3-methylpyrrolidin-1-yl)methanone;formamide.
What is the SMILES notation for [4-(1,2-dimethylindol-5-yl)oxy-5-methylpyrrolo[1,2-b]pyridazin-6-yl]-(3-methylpyrrolidin-1-yl)methanone;formamide?
The canonical SMILES for [4-(1,2-dimethylindol-5-yl)oxy-5-methylpyrrolo[1,2-b]pyridazin-6-yl]-(3-methylpyrrolidin-1-yl)methanone;formamide is Cc1c(C(=O)N2CCC(C)C2)cn2nccc(Oc3ccc4c(c3)cc(C)n4C)c12.NC=O.
What is the InChIKey of [4-(1,2-dimethylindol-5-yl)oxy-5-methylpyrrolo[1,2-b]pyridazin-6-yl]-(3-methylpyrrolidin-1-yl)methanone;formamide?
The InChIKey is WBZDJKPIHKJCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2.CH3NO/c1-15-8-10-27(13-15)24(29)20-14-28-23(17(20)3)22(7-9-25-28)30-19-5-6-21-18(12-19)11-16(2)26(21)4;2-1-3/h5-7,9,11-12,14-15H,8,10,13H2,1-4H3;1H,(H2,2,3).
What are the key properties of [4-(1,2-dimethylindol-5-yl)oxy-5-methylpyrrolo[1,2-b]pyridazin-6-yl]-(3-methylpyrrolidin-1-yl)methanone;formamide?
[4-(1,2-dimethylindol-5-yl)oxy-5-methylpyrrolo[1,2-b]pyridazin-6-yl]-(3-methylpyrrolidin-1-yl)methanone;formamide has a molecular weight of 447.54 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,2-dimethylindol-5-yl)oxy-5-methylpyrrolo[1,2-b]pyridazin-6-yl]-(3-methylpyrrolidin-1-yl)methanone;formamide is sourced from PubChem (CID 178115170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).