1-[3-cyano-4-[5-methyl-6-(pyrrolidine-1-carbonyl)pyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]-3-cyclopropylurea

C24H24N6O3 — CID 178115534

IUPAC1-[3-cyano-4-[5-methyl-6-(pyrrolidine-1-carbonyl)pyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]-3-cyclopropylurea
SMILESCc1c(C(=O)N2CCCC2)cn2nccc(Oc3ccc(NC(=O)NC4CC4)cc3C#N)c12
InChIInChI=1S/C24H24N6O3/c1-15-19(23(31)29-10-2-3-11-29)14-30-22(15)21(8-9-26-30)33-20-7-6-18(12-16(20)13-25)28-24(32)27-17-4-5-17/h6-9,12,14,17H,2-5,10-11H2,1H3,(H2,27,28,32)
InChIKeyQIZYQNHXOQHRER-UHFFFAOYSA-N
MW444.50 g/mol
LogP3.83
Rot. Bonds5

About 1-[3-cyano-4-[5-methyl-6-(pyrrolidine-1-carbonyl)pyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]-3-cyclopropylurea

1-[3-cyano-4-[5-methyl-6-(pyrrolidine-1-carbonyl)pyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]-3-cyclopropylurea (PubChem CID 178115534) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is 1-[3-cyano-4-[5-methyl-6-(pyrrolidine-1-carbonyl)pyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[3-cyano-4-[5-methyl-6-(pyrrolidine-1-carbonyl)pyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]-3-cyclopropylurea
PubChem CID178115534
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC Name1-[3-cyano-4-[5-methyl-6-(pyrrolidine-1-carbonyl)pyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]-3-cyclopropylurea
SMILESCc1c(C(=O)N2CCCC2)cn2nccc(Oc3ccc(NC(=O)NC4CC4)cc3C#N)c12
InChIInChI=1S/C24H24N6O3/c1-15-19(23(31)29-10-2-3-11-29)14-30-22(15)21(8-9-26-30)33-20-7-6-18(12-16(20)13-25)28-24(32)27-17-4-5-17/h6-9,12,14,17H,2-5,10-11H2,1H3,(H2,27,28,32)
InChIKeyQIZYQNHXOQHRER-UHFFFAOYSA-N
XLogP3.83
TPSA111.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[3-cyano-4-[5-methyl-6-(pyrrolidine-1-carbonyl)pyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]-3-cyclopropylurea with MolForge

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Related Compounds

6-[6-(3-cyanoazetidine-1-carbonyl)-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-N-cyclopropyl-5-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide
CID 178115613
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-cyclopropyl-3-[2-methyl-4-[5-methyl-6-(2-methylazetidine-1-carbonyl)pyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]urea
CID 178115269
4-[[1-(cyclopropylcarbamoyl)-5-fluoro-3,4-dihydro-2H-quinolin-6-yl]oxy]-5-methylpyrrolo[1,2-b]pyridazine-6-carboxylic acid
CID 178115648
[3-fluoro-4-[6-[(3S)-3-hydroxy-3-methylpyrrolidine-1-carbonyl]-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]urea
CID 178115425
N-cyclopropyl-5-fluoro-6-[6-[(2R,3R)-3-hydroxy-2-methylazetidine-1-carbonyl]-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-3,4-dihydro-2H-quinoline-1-carboxamide
CID 178115705
3-cyclopropyl-1-methyl-1-[4-[5-methyl-6-(2-methylpyrrolidine-1-carbonyl)pyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]urea
CID 178115776
1-[4-[6-cyano-7-[[(2R)-oxiran-2-yl]methoxy]quinolin-4-yl]oxy-2,3-dimethylphenyl]-3-cyclopropylurea
CID 86591483
1-cyclopropyl-3-[3-fluoro-4-[2-[1-methyl-5-(pyrrolidine-1-carbonyl)imidazol-2-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea
CID 67442530
N,2-dimethyl-7-[5-methyl-6-(3-methylpyrrolidine-1-carbonyl)pyrrolo[1,2-b]pyridazin-4-yl]oxyindolizine-3-carboxamide
CID 178115439
4-[[4-(2-cyanophenoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122077652

Frequently Asked Questions

What is the IUPAC name of 1-[3-cyano-4-[5-methyl-6-(pyrrolidine-1-carbonyl)pyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]-3-cyclopropylurea?
The IUPAC name of 1-[3-cyano-4-[5-methyl-6-(pyrrolidine-1-carbonyl)pyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]-3-cyclopropylurea (CID 178115534) is 1-[3-cyano-4-[5-methyl-6-(pyrrolidine-1-carbonyl)pyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]-3-cyclopropylurea.
What is the SMILES notation for 1-[3-cyano-4-[5-methyl-6-(pyrrolidine-1-carbonyl)pyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]-3-cyclopropylurea?
The canonical SMILES for 1-[3-cyano-4-[5-methyl-6-(pyrrolidine-1-carbonyl)pyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]-3-cyclopropylurea is Cc1c(C(=O)N2CCCC2)cn2nccc(Oc3ccc(NC(=O)NC4CC4)cc3C#N)c12.
What is the InChIKey of 1-[3-cyano-4-[5-methyl-6-(pyrrolidine-1-carbonyl)pyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]-3-cyclopropylurea?
The InChIKey is QIZYQNHXOQHRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-15-19(23(31)29-10-2-3-11-29)14-30-22(15)21(8-9-26-30)33-20-7-6-18(12-16(20)13-25)28-24(32)27-17-4-5-17/h6-9,12,14,17H,2-5,10-11H2,1H3,(H2,27,28,32).
What are the key properties of 1-[3-cyano-4-[5-methyl-6-(pyrrolidine-1-carbonyl)pyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]-3-cyclopropylurea?
1-[3-cyano-4-[5-methyl-6-(pyrrolidine-1-carbonyl)pyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]-3-cyclopropylurea has a molecular weight of 444.50 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-cyano-4-[5-methyl-6-(pyrrolidine-1-carbonyl)pyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]-3-cyclopropylurea is sourced from PubChem (CID 178115534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).