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

C22H23F2N5O2 — CID 56941735

IUPAC6-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(oxan-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(NC1CCOCC1)c1cnc2ccc(N3C[C@@H](F)C[C@@H]3c3cccc(F)c3)nn12
InChIInChI=1S/C22H23F2N5O2/c23-15-3-1-2-14(10-15)18-11-16(24)13-28(18)21-5-4-20-25-12-19(29(20)27-21)22(30)26-17-6-8-31-9-7-17/h1-5,10,12,16-18H,6-9,11,13H2,(H,26,30)/t16-,18+/m0/s1
InChIKeyULVOMDLSOHXVIB-FUHWJXTLSA-N
MW427.46 g/mol
LogP3.07
Rot. Bonds4

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

6-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(oxan-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 56941735) has the molecular formula C22H23F2N5O2 and a molecular weight of 427.46 g/mol. Its IUPAC name is 6-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(oxan-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(oxan-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID56941735
Molecular FormulaC22H23F2N5O2
Molecular Weight427.46 g/mol
Exact Mass427.18
IUPAC Name6-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(oxan-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(NC1CCOCC1)c1cnc2ccc(N3C[C@@H](F)C[C@@H]3c3cccc(F)c3)nn12
InChIInChI=1S/C22H23F2N5O2/c23-15-3-1-2-14(10-15)18-11-16(24)13-28(18)21-5-4-20-25-12-19(29(20)27-21)22(30)26-17-6-8-31-9-7-17/h1-5,10,12,16-18H,6-9,11,13H2,(H,26,30)/t16-,18+/m0/s1
InChIKeyULVOMDLSOHXVIB-FUHWJXTLSA-N
XLogP3.07
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(oxan-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(oxan-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide (CID 56941735) is 6-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(oxan-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(oxan-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(oxan-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide is O=C(NC1CCOCC1)c1cnc2ccc(N3C[C@@H](F)C[C@@H]3c3cccc(F)c3)nn12.
What is the InChIKey of 6-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(oxan-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is ULVOMDLSOHXVIB-FUHWJXTLSA-N. The full InChI is InChI=1S/C22H23F2N5O2/c23-15-3-1-2-14(10-15)18-11-16(24)13-28(18)21-5-4-20-25-12-19(29(20)27-21)22(30)26-17-6-8-31-9-7-17/h1-5,10,12,16-18H,6-9,11,13H2,(H,26,30)/t16-,18+/m0/s1.
What are the key properties of 6-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(oxan-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
6-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(oxan-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 427.46 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(oxan-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 56941735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).