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

C26H25FN6O3 — CID 178115613

IUPAC6-[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
SMILESCc1c(C(=O)N2CC(C#N)C2)cn2nccc(Oc3ccc4c(c3F)CCCN4C(=O)NC3CC3)c12
InChIInChI=1S/C26H25FN6O3/c1-15-19(25(34)31-12-16(11-28)13-31)14-33-24(15)22(8-9-29-33)36-21-7-6-20-18(23(21)27)3-2-10-32(20)26(35)30-17-4-5-17/h6-9,14,16-17H,2-5,10,12-13H2,1H3,(H,30,35)
InChIKeyOIBALEYMSATAIJ-UHFFFAOYSA-N
MW488.52 g/mol
LogP3.79
Rot. Bonds4

About 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

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 (PubChem CID 178115613) has the molecular formula C26H25FN6O3 and a molecular weight of 488.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID178115613
Molecular FormulaC26H25FN6O3
Molecular Weight488.52 g/mol
Exact Mass488.20
IUPAC Name6-[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
SMILESCc1c(C(=O)N2CC(C#N)C2)cn2nccc(Oc3ccc4c(c3F)CCCN4C(=O)NC3CC3)c12
InChIInChI=1S/C26H25FN6O3/c1-15-19(25(34)31-12-16(11-28)13-31)14-33-24(15)22(8-9-29-33)36-21-7-6-20-18(23(21)27)3-2-10-32(20)26(35)30-17-4-5-17/h6-9,14,16-17H,2-5,10,12-13H2,1H3,(H,30,35)
InChIKeyOIBALEYMSATAIJ-UHFFFAOYSA-N
XLogP3.79
TPSA102.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.52
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

4-[[1-(cyclopropylcarbamoyl)-5-fluoro-3,4-dihydro-2H-quinolin-6-yl]oxy]-5-methylpyrrolo[1,2-b]pyridazine-6-carboxylic acid
CID 178115648
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
1-[3-cyano-4-[5-methyl-6-(pyrrolidine-1-carbonyl)pyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]-3-cyclopropylurea
CID 178115534
3-[6-(3-cyanoazetidine-1-carbonyl)-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-N-(4-fluorophenyl)benzamide
CID 178115390
1-[4-(1H-indazol-5-yloxy)-5-methylpyrrolo[1,2-b]pyridazine-6-carbonyl]azetidine-3-carbonitrile
CID 178115410
1-[5-methyl-4-[(2-methyl-1,3-benzothiazol-5-yl)amino]pyrrolo[1,2-b]pyridazine-6-carbonyl]azetidine-3-carbonitrile
CID 178115747
1-[5-methyl-4-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)amino]pyrrolo[1,2-b]pyridazine-6-carbonyl]azetidine-3-carbonitrile
CID 178115514
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-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]-5-methylpyrrolo[1,2-b]pyridazine-6-carbonyl]azetidine-3-carbonitrile
CID 178115818
1-cyclopropyl-3-[2-methyl-4-[5-methyl-6-(2-methylazetidine-1-carbonyl)pyrrolo[1,2-b]pyridazin-4-yl]oxyphenyl]urea
CID 178115269
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(C(=O)N2CC(C#N)C2)cn2nccc(Oc3ccc4c(c3F)CCCN4C(=O)NC3CC3)c12.
What is the InChIKey of 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?
The InChIKey is OIBALEYMSATAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6O3/c1-15-19(25(34)31-12-16(11-28)13-31)14-33-24(15)22(8-9-29-33)36-21-7-6-20-18(23(21)27)3-2-10-32(20)26(35)30-17-4-5-17/h6-9,14,16-17H,2-5,10,12-13H2,1H3,(H,30,35).
What are the key properties of 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?
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 has a molecular weight of 488.52 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 178115613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).