6-(3,3-difluoropyrrolidin-1-yl)-2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid;6-(3,3-difluoropyrrolidin-1-yl)-2-methyl-N-pyridin-3-ylimidazo[1,2-b]pyridazine-3-carboxamide;pyridin-3-amine

C34H34F4N12O3 — CID 160760632

IUPAC6-(3,3-difluoropyrrolidin-1-yl)-2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid;6-(3,3-difluoropyrrolidin-1-yl)-2-methyl-N-pyridin-3-ylimidazo[1,2-b]pyridazine-3-carboxamide;pyridin-3-amine
SMILESCc1nc2ccc(N3CCC(F)(F)C3)nn2c1C(=O)Nc1cccnc1.Cc1nc2ccc(N3CCC(F)(F)C3)nn2c1C(=O)O.Nc1cccnc1
InChIInChI=1S/C17H16F2N6O.C12H12F2N4O2.C5H6N2/c1-11-15(16(26)22-12-3-2-7-20-9-12)25-13(21-11)4-5-14(23-25)24-8-6-17(18,19)10-24;1-7-10(11(19)20)18-8(15-7)2-3-9(16-18)17-5-4-12(13,14)6-17;6-5-2-1-3-7-4-5/h2-5,7,9H,6,8,10H2,1H3,(H,22,26);2-3H,4-6H2,1H3,(H,19,20);1-4H,6H2
InChIKeyRYABEXILOIXYAM-UHFFFAOYSA-N
MW734.72 g/mol
LogP4.78
Rot. Bonds5

About 6-(3,3-difluoropyrrolidin-1-yl)-2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid;6-(3,3-difluoropyrrolidin-1-yl)-2-methyl-N-pyridin-3-ylimidazo[1,2-b]pyridazine-3-carboxamide;pyridin-3-amine

6-(3,3-difluoropyrrolidin-1-yl)-2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid;6-(3,3-difluoropyrrolidin-1-yl)-2-methyl-N-pyridin-3-ylimidazo[1,2-b]pyridazine-3-carboxamide;pyridin-3-amine (PubChem CID 160760632) has the molecular formula C34H34F4N12O3 and a molecular weight of 734.72 g/mol. Its IUPAC name is 6-(3,3-difluoropyrrolidin-1-yl)-2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid;6-(3,3-difluoropyrrolidin-1-yl)-2-methyl-N-pyridin-3-ylimidazo[1,2-b]pyridazine-3-carboxamide;pyridin-3-amine.

Molecular Properties

Compound Name6-(3,3-difluoropyrrolidin-1-yl)-2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid;6-(3,3-difluoropyrrolidin-1-yl)-2-methyl-N-pyridin-3-ylimidazo[1,2-b]pyridazine-3-carboxamide;pyridin-3-amine
PubChem CID160760632
Molecular FormulaC34H34F4N12O3
Molecular Weight734.72 g/mol
Exact Mass734.28
IUPAC Name6-(3,3-difluoropyrrolidin-1-yl)-2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid;6-(3,3-difluoropyrrolidin-1-yl)-2-methyl-N-pyridin-3-ylimidazo[1,2-b]pyridazine-3-carboxamide;pyridin-3-amine
SMILESCc1nc2ccc(N3CCC(F)(F)C3)nn2c1C(=O)Nc1cccnc1.Cc1nc2ccc(N3CCC(F)(F)C3)nn2c1C(=O)O.Nc1cccnc1
InChIInChI=1S/C17H16F2N6O.C12H12F2N4O2.C5H6N2/c1-11-15(16(26)22-12-3-2-7-20-9-12)25-13(21-11)4-5-14(23-25)24-8-6-17(18,19)10-24;1-7-10(11(19)20)18-8(15-7)2-3-9(16-18)17-5-4-12(13,14)6-17;6-5-2-1-3-7-4-5/h2-5,7,9H,6,8,10H2,1H3,(H,22,26);2-3H,4-6H2,1H3,(H,19,20);1-4H,6H2
InChIKeyRYABEXILOIXYAM-UHFFFAOYSA-N
XLogP4.78
TPSA185.06 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.72
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 6-(3,3-difluoropyrrolidin-1-yl)-2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid;6-(3,3-difluoropyrrolidin-1-yl)-2-methyl-N-pyridin-3-ylimidazo[1,2-b]pyridazine-3-carboxamide;pyridin-3-amine with MolForge

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Related Compounds

3-fluoro-N-pyridin-3-yl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidine-3-carboxamide
CID 163344503
N-[5-[[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]carbamoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
CID 154654345
6-(3,3-difluoropyrrolidin-1-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 143994451
4-amino-1-methyl-N-pyridin-3-ylpyrazole-5-carboxamide
CID 65355553
3-methyl-2-methylidene-N-pyridin-3-yl-1H-imidazole-4-carboxamide
CID 155416341
1-(6-methyl-2-pyridinyl)-N-pyridin-3-ylimidazole-4-carboxamide
CID 1491423
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-pyridin-3-ylpiperidine-4-carboxamide
CID 90514232
3-amino-4,6-dimethyl-N-pyridin-3-ylthieno[3,2-c]pyridine-2-carboxamide
CID 81036760
1-methylpyrrolidine;pyridin-3-ylurea
CID 143564599
2-chloro-6-methyl-N-pyridin-3-ylpyridine-4-carboxamide
CID 10192785
6-imidazol-1-yl-N-pyridin-3-ylpyridine-2-carboxamide
CID 166481334
6-imidazol-1-yl-N-pyridin-3-ylpyridazine-3-carboxamide
CID 121114046

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-difluoropyrrolidin-1-yl)-2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid;6-(3,3-difluoropyrrolidin-1-yl)-2-methyl-N-pyridin-3-ylimidazo[1,2-b]pyridazine-3-carboxamide;pyridin-3-amine?
The IUPAC name of 6-(3,3-difluoropyrrolidin-1-yl)-2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid;6-(3,3-difluoropyrrolidin-1-yl)-2-methyl-N-pyridin-3-ylimidazo[1,2-b]pyridazine-3-carboxamide;pyridin-3-amine (CID 160760632) is 6-(3,3-difluoropyrrolidin-1-yl)-2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid;6-(3,3-difluoropyrrolidin-1-yl)-2-methyl-N-pyridin-3-ylimidazo[1,2-b]pyridazine-3-carboxamide;pyridin-3-amine.
What is the SMILES notation for 6-(3,3-difluoropyrrolidin-1-yl)-2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid;6-(3,3-difluoropyrrolidin-1-yl)-2-methyl-N-pyridin-3-ylimidazo[1,2-b]pyridazine-3-carboxamide;pyridin-3-amine?
The canonical SMILES for 6-(3,3-difluoropyrrolidin-1-yl)-2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid;6-(3,3-difluoropyrrolidin-1-yl)-2-methyl-N-pyridin-3-ylimidazo[1,2-b]pyridazine-3-carboxamide;pyridin-3-amine is Cc1nc2ccc(N3CCC(F)(F)C3)nn2c1C(=O)Nc1cccnc1.Cc1nc2ccc(N3CCC(F)(F)C3)nn2c1C(=O)O.Nc1cccnc1.
What is the InChIKey of 6-(3,3-difluoropyrrolidin-1-yl)-2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid;6-(3,3-difluoropyrrolidin-1-yl)-2-methyl-N-pyridin-3-ylimidazo[1,2-b]pyridazine-3-carboxamide;pyridin-3-amine?
The InChIKey is RYABEXILOIXYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N6O.C12H12F2N4O2.C5H6N2/c1-11-15(16(26)22-12-3-2-7-20-9-12)25-13(21-11)4-5-14(23-25)24-8-6-17(18,19)10-24;1-7-10(11(19)20)18-8(15-7)2-3-9(16-18)17-5-4-12(13,14)6-17;6-5-2-1-3-7-4-5/h2-5,7,9H,6,8,10H2,1H3,(H,22,26);2-3H,4-6H2,1H3,(H,19,20);1-4H,6H2.
What are the key properties of 6-(3,3-difluoropyrrolidin-1-yl)-2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid;6-(3,3-difluoropyrrolidin-1-yl)-2-methyl-N-pyridin-3-ylimidazo[1,2-b]pyridazine-3-carboxamide;pyridin-3-amine?
6-(3,3-difluoropyrrolidin-1-yl)-2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid;6-(3,3-difluoropyrrolidin-1-yl)-2-methyl-N-pyridin-3-ylimidazo[1,2-b]pyridazine-3-carboxamide;pyridin-3-amine has a molecular weight of 734.72 g/mol, XLogP of 4.78, 5 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-difluoropyrrolidin-1-yl)-2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid;6-(3,3-difluoropyrrolidin-1-yl)-2-methyl-N-pyridin-3-ylimidazo[1,2-b]pyridazine-3-carboxamide;pyridin-3-amine is sourced from PubChem (CID 160760632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).