6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide

C23H28FN5O2 — CID 56941303

IUPAC6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCC(C)C[C@H](CO)NC(=O)c1cnc2ccc(N3CCC[C@@H]3c3cccc(F)c3)nn12
InChIInChI=1S/C23H28FN5O2/c1-15(2)11-18(14-30)26-23(31)20-13-25-21-8-9-22(27-29(20)21)28-10-4-7-19(28)16-5-3-6-17(24)12-16/h3,5-6,8-9,12-13,15,18-19,30H,4,7,10-11,14H2,1-2H3,(H,26,31)/t18-,19-/m1/s1
InChIKeyJPZMKISGZXWBAB-RTBURBONSA-N
MW425.51 g/mol
LogP3.35
Rot. Bonds7

About 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide

6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 56941303) has the molecular formula C23H28FN5O2 and a molecular weight of 425.51 g/mol. Its IUPAC name is 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID56941303
Molecular FormulaC23H28FN5O2
Molecular Weight425.51 g/mol
Exact Mass425.22
IUPAC Name6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCC(C)C[C@H](CO)NC(=O)c1cnc2ccc(N3CCC[C@@H]3c3cccc(F)c3)nn12
InChIInChI=1S/C23H28FN5O2/c1-15(2)11-18(14-30)26-23(31)20-13-25-21-8-9-22(27-29(20)21)28-10-4-7-19(28)16-5-3-6-17(24)12-16/h3,5-6,8-9,12-13,15,18-19,30H,4,7,10-11,14H2,1-2H3,(H,26,31)/t18-,19-/m1/s1
InChIKeyJPZMKISGZXWBAB-RTBURBONSA-N
XLogP3.35
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 56941303) is 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide is CC(C)C[C@H](CO)NC(=O)c1cnc2ccc(N3CCC[C@@H]3c3cccc(F)c3)nn12.
What is the InChIKey of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is JPZMKISGZXWBAB-RTBURBONSA-N. The full InChI is InChI=1S/C23H28FN5O2/c1-15(2)11-18(14-30)26-23(31)20-13-25-21-8-9-22(27-29(20)21)28-10-4-7-19(28)16-5-3-6-17(24)12-16/h3,5-6,8-9,12-13,15,18-19,30H,4,7,10-11,14H2,1-2H3,(H,26,31)/t18-,19-/m1/s1.
What are the key properties of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 425.51 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 56941303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).