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

C25H30FN5O — CID 56941154

IUPACN-(2-cyclohexylethyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(NCCC1CCCCC1)c1cnc2ccc(N3CCC[C@@H]3c3cccc(F)c3)nn12
InChIInChI=1S/C25H30FN5O/c26-20-9-4-8-19(16-20)21-10-5-15-30(21)24-12-11-23-28-17-22(31(23)29-24)25(32)27-14-13-18-6-2-1-3-7-18/h4,8-9,11-12,16-18,21H,1-3,5-7,10,13-15H2,(H,27,32)/t21-/m1/s1
InChIKeyDEFQOXMJKFOCHR-OAQYLSRUSA-N
MW435.55 g/mol
LogP4.91
Rot. Bonds6

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

N-(2-cyclohexylethyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 56941154) has the molecular formula C25H30FN5O and a molecular weight of 435.55 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID56941154
Molecular FormulaC25H30FN5O
Molecular Weight435.55 g/mol
Exact Mass435.24
IUPAC NameN-(2-cyclohexylethyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(NCCC1CCCCC1)c1cnc2ccc(N3CCC[C@@H]3c3cccc(F)c3)nn12
InChIInChI=1S/C25H30FN5O/c26-20-9-4-8-19(16-20)21-10-5-15-30(21)24-12-11-23-28-17-22(31(23)29-24)25(32)27-14-13-18-6-2-1-3-7-18/h4,8-9,11-12,16-18,21H,1-3,5-7,10,13-15H2,(H,27,32)/t21-/m1/s1
InChIKeyDEFQOXMJKFOCHR-OAQYLSRUSA-N
XLogP4.91
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-(2-cyclohexylethyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 56941154) is N-(2-cyclohexylethyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-cyclohexylethyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-(2-cyclohexylethyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide is O=C(NCCC1CCCCC1)c1cnc2ccc(N3CCC[C@@H]3c3cccc(F)c3)nn12.
What is the InChIKey of N-(2-cyclohexylethyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is DEFQOXMJKFOCHR-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H30FN5O/c26-20-9-4-8-19(16-20)21-10-5-15-30(21)24-12-11-23-28-17-22(31(23)29-24)25(32)27-14-13-18-6-2-1-3-7-18/h4,8-9,11-12,16-18,21H,1-3,5-7,10,13-15H2,(H,27,32)/t21-/m1/s1.
What are the key properties of N-(2-cyclohexylethyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
N-(2-cyclohexylethyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 435.55 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 56941154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).