6-amino-2-cyclopropyl-7-(3-methoxy-2,6-dimethylphenyl)-3-methylpyrrolo[1,2-b]pyridazine-5-carboxamide

C21H24N4O2 — CID 171525257

IUPAC6-amino-2-cyclopropyl-7-(3-methoxy-2,6-dimethylphenyl)-3-methylpyrrolo[1,2-b]pyridazine-5-carboxamide
SMILESCOc1ccc(C)c(-c2c(N)c(C(N)=O)c3cc(C)c(C4CC4)nn23)c1C
InChIInChI=1S/C21H24N4O2/c1-10-5-8-15(27-4)12(3)16(10)20-18(22)17(21(23)26)14-9-11(2)19(13-6-7-13)24-25(14)20/h5,8-9,13H,6-7,22H2,1-4H3,(H2,23,26)
InChIKeyZJUOPRVFZGKATR-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.49
Rot. Bonds4

About 6-amino-2-cyclopropyl-7-(3-methoxy-2,6-dimethylphenyl)-3-methylpyrrolo[1,2-b]pyridazine-5-carboxamide

6-amino-2-cyclopropyl-7-(3-methoxy-2,6-dimethylphenyl)-3-methylpyrrolo[1,2-b]pyridazine-5-carboxamide (PubChem CID 171525257) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-amino-2-cyclopropyl-7-(3-methoxy-2,6-dimethylphenyl)-3-methylpyrrolo[1,2-b]pyridazine-5-carboxamide.

Molecular Properties

Compound Name6-amino-2-cyclopropyl-7-(3-methoxy-2,6-dimethylphenyl)-3-methylpyrrolo[1,2-b]pyridazine-5-carboxamide
PubChem CID171525257
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name6-amino-2-cyclopropyl-7-(3-methoxy-2,6-dimethylphenyl)-3-methylpyrrolo[1,2-b]pyridazine-5-carboxamide
SMILESCOc1ccc(C)c(-c2c(N)c(C(N)=O)c3cc(C)c(C4CC4)nn23)c1C
InChIInChI=1S/C21H24N4O2/c1-10-5-8-15(27-4)12(3)16(10)20-18(22)17(21(23)26)14-9-11(2)19(13-6-7-13)24-25(14)20/h5,8-9,13H,6-7,22H2,1-4H3,(H2,23,26)
InChIKeyZJUOPRVFZGKATR-UHFFFAOYSA-N
XLogP3.49
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-2-cyclopropyl-7-(3-methoxy-2,6-dimethylphenyl)-3-methylpyrrolo[1,2-b]pyridazine-5-carbonitrile
CID 171525250
6-amino-3-(difluoromethyl)-7-(3-methoxy-2,6-dimethylphenyl)benzimidazole-5-carboxamide
CID 171820267
6-amino-7-(6-hydroxy-5-methyl-1H-indazol-4-yl)-2,3-dimethylpyrrolo[1,2-b]pyridazine-5-carboxamide
CID 171525296
11-amino-10-(3-methoxy-2,6-dimethylphenyl)-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-12-carboxamide
CID 169238460
11-amino-12-(3-methoxy-2,6-dimethylphenyl)-7-methyl-3,5,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene-10-carboxamide
CID 172622240
4-(3-methoxy-2,6-dimethylphenyl)-1-methylindazole-6-carboxamide
CID 171820302
(4-chloropiperidin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 55183162
amino 3-methoxy-4-methylbenzoate
CID 175307316
7-(1-acetylpiperidin-4-yl)-2-(3-methoxy-4-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146654375
3-amino-6-(furan-2-yl)-4-(3-methoxy-2,6-dimethylphenyl)pyridine-2-carboxamide
CID 170346663
11-amino-8-cyclopropyloxy-12-(3-methoxy-2,6-dimethylphenyl)-5-methyl-3,5,7,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-10-carboxamide
CID 178111133
3-chloro-6-methoxy-2-methylbenzamide
CID 171008578

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-cyclopropyl-7-(3-methoxy-2,6-dimethylphenyl)-3-methylpyrrolo[1,2-b]pyridazine-5-carboxamide?
The IUPAC name of 6-amino-2-cyclopropyl-7-(3-methoxy-2,6-dimethylphenyl)-3-methylpyrrolo[1,2-b]pyridazine-5-carboxamide (CID 171525257) is 6-amino-2-cyclopropyl-7-(3-methoxy-2,6-dimethylphenyl)-3-methylpyrrolo[1,2-b]pyridazine-5-carboxamide.
What is the SMILES notation for 6-amino-2-cyclopropyl-7-(3-methoxy-2,6-dimethylphenyl)-3-methylpyrrolo[1,2-b]pyridazine-5-carboxamide?
The canonical SMILES for 6-amino-2-cyclopropyl-7-(3-methoxy-2,6-dimethylphenyl)-3-methylpyrrolo[1,2-b]pyridazine-5-carboxamide is COc1ccc(C)c(-c2c(N)c(C(N)=O)c3cc(C)c(C4CC4)nn23)c1C.
What is the InChIKey of 6-amino-2-cyclopropyl-7-(3-methoxy-2,6-dimethylphenyl)-3-methylpyrrolo[1,2-b]pyridazine-5-carboxamide?
The InChIKey is ZJUOPRVFZGKATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-10-5-8-15(27-4)12(3)16(10)20-18(22)17(21(23)26)14-9-11(2)19(13-6-7-13)24-25(14)20/h5,8-9,13H,6-7,22H2,1-4H3,(H2,23,26).
What are the key properties of 6-amino-2-cyclopropyl-7-(3-methoxy-2,6-dimethylphenyl)-3-methylpyrrolo[1,2-b]pyridazine-5-carboxamide?
6-amino-2-cyclopropyl-7-(3-methoxy-2,6-dimethylphenyl)-3-methylpyrrolo[1,2-b]pyridazine-5-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-cyclopropyl-7-(3-methoxy-2,6-dimethylphenyl)-3-methylpyrrolo[1,2-b]pyridazine-5-carboxamide is sourced from PubChem (CID 171525257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).