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

C23H26F2N6O2 — CID 56941448

IUPAC6-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cnc2ccc(N3C[C@@H](F)C[C@@H]3c3cccc(F)c3)nn12
InChIInChI=1S/C23H26F2N6O2/c24-17-3-1-2-16(12-17)19-13-18(25)15-30(19)22-5-4-21-27-14-20(31(21)28-22)23(32)26-6-7-29-8-10-33-11-9-29/h1-5,12,14,18-19H,6-11,13,15H2,(H,26,32)/t18-,19+/m0/s1
InChIKeyUVPSLSKCKFJOJQ-RBUKOAKNSA-N
MW456.50 g/mol
LogP2.22
Rot. Bonds6

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

6-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 56941448) has the molecular formula C23H26F2N6O2 and a molecular weight of 456.50 g/mol. Its IUPAC name is 6-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID56941448
Molecular FormulaC23H26F2N6O2
Molecular Weight456.50 g/mol
Exact Mass456.21
IUPAC Name6-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cnc2ccc(N3C[C@@H](F)C[C@@H]3c3cccc(F)c3)nn12
InChIInChI=1S/C23H26F2N6O2/c24-17-3-1-2-16(12-17)19-13-18(25)15-30(19)22-5-4-21-27-14-20(31(21)28-22)23(32)26-6-7-29-8-10-33-11-9-29/h1-5,12,14,18-19H,6-11,13,15H2,(H,26,32)/t18-,19+/m0/s1
InChIKeyUVPSLSKCKFJOJQ-RBUKOAKNSA-N
XLogP2.22
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazine-3-carboxamide (CID 56941448) is 6-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)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-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazine-3-carboxamide is O=C(NCCN1CCOCC1)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-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is UVPSLSKCKFJOJQ-RBUKOAKNSA-N. The full InChI is InChI=1S/C23H26F2N6O2/c24-17-3-1-2-16(12-17)19-13-18(25)15-30(19)22-5-4-21-27-14-20(31(21)28-22)23(32)26-6-7-29-8-10-33-11-9-29/h1-5,12,14,18-19H,6-11,13,15H2,(H,26,32)/t18-,19+/m0/s1.
What are the key properties of 6-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazine-3-carboxamide?
6-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 456.50 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 56941448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).