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

C25H23F2N5O — CID 56942452

IUPACN-[1-(4-fluorophenyl)ethyl]-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCC(NC(=O)c1cnc2ccc(N3CCC[C@@H]3c3cccc(F)c3)nn12)c1ccc(F)cc1
InChIInChI=1S/C25H23F2N5O/c1-16(17-7-9-19(26)10-8-17)29-25(33)22-15-28-23-11-12-24(30-32(22)23)31-13-3-6-21(31)18-4-2-5-20(27)14-18/h2,4-5,7-12,14-16,21H,3,6,13H2,1H3,(H,29,33)/t16?,21-/m1/s1
InChIKeySJBBWKYEIAZLRJ-CAWMZFRYSA-N
MW447.49 g/mol
LogP4.84
Rot. Bonds5

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

N-[1-(4-fluorophenyl)ethyl]-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 56942452) has the molecular formula C25H23F2N5O and a molecular weight of 447.49 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID56942452
Molecular FormulaC25H23F2N5O
Molecular Weight447.49 g/mol
Exact Mass447.19
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCC(NC(=O)c1cnc2ccc(N3CCC[C@@H]3c3cccc(F)c3)nn12)c1ccc(F)cc1
InChIInChI=1S/C25H23F2N5O/c1-16(17-7-9-19(26)10-8-17)29-25(33)22-15-28-23-11-12-24(30-32(22)23)31-13-3-6-21(31)18-4-2-5-20(27)14-18/h2,4-5,7-12,14-16,21H,3,6,13H2,1H3,(H,29,33)/t16?,21-/m1/s1
InChIKeySJBBWKYEIAZLRJ-CAWMZFRYSA-N
XLogP4.84
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 56942452) is N-[1-(4-fluorophenyl)ethyl]-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide is CC(NC(=O)c1cnc2ccc(N3CCC[C@@H]3c3cccc(F)c3)nn12)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is SJBBWKYEIAZLRJ-CAWMZFRYSA-N. The full InChI is InChI=1S/C25H23F2N5O/c1-16(17-7-9-19(26)10-8-17)29-25(33)22-15-28-23-11-12-24(30-32(22)23)31-13-3-6-21(31)18-4-2-5-20(27)14-18/h2,4-5,7-12,14-16,21H,3,6,13H2,1H3,(H,29,33)/t16?,21-/m1/s1.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
N-[1-(4-fluorophenyl)ethyl]-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 447.49 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 56942452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).