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

C22H24FN5O2 — CID 56941298

IUPAC6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(oxan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(NC1CCCOC1)c1cnc2ccc(N3CCC[C@@H]3c3cccc(F)c3)nn12
InChIInChI=1S/C22H24FN5O2/c23-16-5-1-4-15(12-16)18-7-2-10-27(18)21-9-8-20-24-13-19(28(20)26-21)22(29)25-17-6-3-11-30-14-17/h1,4-5,8-9,12-13,17-18H,2-3,6-7,10-11,14H2,(H,25,29)/t17?,18-/m1/s1
InChIKeyVQUZQPAGSMZPJO-QRWMCTBCSA-N
MW409.47 g/mol
LogP3.12
Rot. Bonds4

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

6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(oxan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 56941298) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(oxan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(oxan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID56941298
Molecular FormulaC22H24FN5O2
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC Name6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(oxan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(NC1CCCOC1)c1cnc2ccc(N3CCC[C@@H]3c3cccc(F)c3)nn12
InChIInChI=1S/C22H24FN5O2/c23-16-5-1-4-15(12-16)18-7-2-10-27(18)21-9-8-20-24-13-19(28(20)26-21)22(29)25-17-6-3-11-30-14-17/h1,4-5,8-9,12-13,17-18H,2-3,6-7,10-11,14H2,(H,25,29)/t17?,18-/m1/s1
InChIKeyVQUZQPAGSMZPJO-QRWMCTBCSA-N
XLogP3.12
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.12
H-Bond Donors ≤ 51
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-(oxan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(oxan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide (CID 56941298) is 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(oxan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(oxan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(oxan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide is O=C(NC1CCCOC1)c1cnc2ccc(N3CCC[C@@H]3c3cccc(F)c3)nn12.
What is the InChIKey of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(oxan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is VQUZQPAGSMZPJO-QRWMCTBCSA-N. The full InChI is InChI=1S/C22H24FN5O2/c23-16-5-1-4-15(12-16)18-7-2-10-27(18)21-9-8-20-24-13-19(28(20)26-21)22(29)25-17-6-3-11-30-14-17/h1,4-5,8-9,12-13,17-18H,2-3,6-7,10-11,14H2,(H,25,29)/t17?,18-/m1/s1.
What are the key properties of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(oxan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(oxan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 409.47 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 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-(oxan-3-yl)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 56941298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).