6-[(2R)-4,4-difluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonitrile;6-[(2R)-4,4-difluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide

C34H26F6N10O — CID 87111198

IUPAC6-[(2R)-4,4-difluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonitrile;6-[(2R)-4,4-difluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESN#Cc1cnc2ccc(N3CC(F)(F)C[C@@H]3c3cccc(F)c3)nn12.NC(=O)c1cnc2ccc(N3CC(F)(F)C[C@@H]3c3cccc(F)c3)nn12
InChIInChI=1S/C17H14F3N5O.C17H12F3N5/c18-11-3-1-2-10(6-11)12-7-17(19,20)9-24(12)15-5-4-14-22-8-13(16(21)26)25(14)23-15;18-12-3-1-2-11(6-12)14-7-17(19,20)10-24(14)16-5-4-15-22-9-13(8-21)25(15)23-16/h1-6,8,12H,7,9H2,(H2,21,26);1-6,9,14H,7,10H2/t12-;14-/m11/s1
InChIKeyVWLSLUWBSNMSJR-VVBZJRPGSA-N
MW704.64 g/mol
LogP5.88
Rot. Bonds5

About 6-[(2R)-4,4-difluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonitrile;6-[(2R)-4,4-difluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide

6-[(2R)-4,4-difluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonitrile;6-[(2R)-4,4-difluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 87111198) has the molecular formula C34H26F6N10O and a molecular weight of 704.64 g/mol. Its IUPAC name is 6-[(2R)-4,4-difluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonitrile;6-[(2R)-4,4-difluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(2R)-4,4-difluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonitrile;6-[(2R)-4,4-difluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID87111198
Molecular FormulaC34H26F6N10O
Molecular Weight704.64 g/mol
Exact Mass704.22
IUPAC Name6-[(2R)-4,4-difluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonitrile;6-[(2R)-4,4-difluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESN#Cc1cnc2ccc(N3CC(F)(F)C[C@@H]3c3cccc(F)c3)nn12.NC(=O)c1cnc2ccc(N3CC(F)(F)C[C@@H]3c3cccc(F)c3)nn12
InChIInChI=1S/C17H14F3N5O.C17H12F3N5/c18-11-3-1-2-10(6-11)12-7-17(19,20)9-24(12)15-5-4-14-22-8-13(16(21)26)25(14)23-15;18-12-3-1-2-11(6-12)14-7-17(19,20)10-24(14)16-5-4-15-22-9-13(8-21)25(15)23-16/h1-6,8,12H,7,9H2,(H2,21,26);1-6,9,14H,7,10H2/t12-;14-/m11/s1
InChIKeyVWLSLUWBSNMSJR-VVBZJRPGSA-N
XLogP5.88
TPSA133.74 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.64
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 6-[(2R)-4,4-difluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonitrile;6-[(2R)-4,4-difluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-4,4-difluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonitrile;6-[(2R)-4,4-difluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[(2R)-4,4-difluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonitrile;6-[(2R)-4,4-difluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 87111198) is 6-[(2R)-4,4-difluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonitrile;6-[(2R)-4,4-difluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(2R)-4,4-difluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonitrile;6-[(2R)-4,4-difluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[(2R)-4,4-difluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonitrile;6-[(2R)-4,4-difluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide is N#Cc1cnc2ccc(N3CC(F)(F)C[C@@H]3c3cccc(F)c3)nn12.NC(=O)c1cnc2ccc(N3CC(F)(F)C[C@@H]3c3cccc(F)c3)nn12.
What is the InChIKey of 6-[(2R)-4,4-difluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonitrile;6-[(2R)-4,4-difluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is VWLSLUWBSNMSJR-VVBZJRPGSA-N. The full InChI is InChI=1S/C17H14F3N5O.C17H12F3N5/c18-11-3-1-2-10(6-11)12-7-17(19,20)9-24(12)15-5-4-14-22-8-13(16(21)26)25(14)23-15;18-12-3-1-2-11(6-12)14-7-17(19,20)10-24(14)16-5-4-15-22-9-13(8-21)25(15)23-16/h1-6,8,12H,7,9H2,(H2,21,26);1-6,9,14H,7,10H2/t12-;14-/m11/s1.
What are the key properties of 6-[(2R)-4,4-difluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonitrile;6-[(2R)-4,4-difluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
6-[(2R)-4,4-difluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonitrile;6-[(2R)-4,4-difluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 704.64 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-4,4-difluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonitrile;6-[(2R)-4,4-difluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 87111198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).