N-[(5R)-5-[(E)-but-2-en-2-yl]-1-[3-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-methyl-2-oxopyridine-3-carboxamide;molecular hydrogen

C22H25F3N6O2 — CID 144737927

IUPACN-[(5R)-5-[(E)-but-2-en-2-yl]-1-[3-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-methyl-2-oxopyridine-3-carboxamide;molecular hydrogen
SMILESC/C=C(\C)[C@H]1CC(NC(=O)c2cccn(C)c2=O)CN1c1ccc2ncc(C(F)(F)F)n2n1.[H][H]
InChIInChI=1S/C22H23F3N6O2.H2/c1-4-13(2)16-10-14(27-20(32)15-6-5-9-29(3)21(15)33)12-30(16)19-8-7-18-26-11-17(22(23,24)25)31(18)28-19;/h4-9,11,14,16H,10,12H2,1-3H3,(H,27,32);1H/b13-4+;/t14?,16-;/m1./s1
InChIKeyITOVCIWEFBHMFW-CKHXTTJYSA-N
MW462.48 g/mol
LogP3.04
Rot. Bonds4

About N-[(5R)-5-[(E)-but-2-en-2-yl]-1-[3-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-methyl-2-oxopyridine-3-carboxamide;molecular hydrogen

N-[(5R)-5-[(E)-but-2-en-2-yl]-1-[3-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-methyl-2-oxopyridine-3-carboxamide;molecular hydrogen (PubChem CID 144737927) has the molecular formula C22H25F3N6O2 and a molecular weight of 462.48 g/mol. Its IUPAC name is N-[(5R)-5-[(E)-but-2-en-2-yl]-1-[3-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-methyl-2-oxopyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(5R)-5-[(E)-but-2-en-2-yl]-1-[3-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-methyl-2-oxopyridine-3-carboxamide;molecular hydrogen
PubChem CID144737927
Molecular FormulaC22H25F3N6O2
Molecular Weight462.48 g/mol
Exact Mass462.20
IUPAC NameN-[(5R)-5-[(E)-but-2-en-2-yl]-1-[3-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-methyl-2-oxopyridine-3-carboxamide;molecular hydrogen
SMILESC/C=C(\C)[C@H]1CC(NC(=O)c2cccn(C)c2=O)CN1c1ccc2ncc(C(F)(F)F)n2n1.[H][H]
InChIInChI=1S/C22H23F3N6O2.H2/c1-4-13(2)16-10-14(27-20(32)15-6-5-9-29(3)21(15)33)12-30(16)19-8-7-18-26-11-17(22(23,24)25)31(18)28-19;/h4-9,11,14,16H,10,12H2,1-3H3,(H,27,32);1H/b13-4+;/t14?,16-;/m1./s1
InChIKeyITOVCIWEFBHMFW-CKHXTTJYSA-N
XLogP3.04
TPSA84.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5R)-5-[(E)-but-2-en-2-yl]-1-[3-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-methyl-2-oxopyridine-3-carboxamide;molecular hydrogen?
The IUPAC name of N-[(5R)-5-[(E)-but-2-en-2-yl]-1-[3-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-methyl-2-oxopyridine-3-carboxamide;molecular hydrogen (CID 144737927) is N-[(5R)-5-[(E)-but-2-en-2-yl]-1-[3-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-methyl-2-oxopyridine-3-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[(5R)-5-[(E)-but-2-en-2-yl]-1-[3-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-methyl-2-oxopyridine-3-carboxamide;molecular hydrogen?
The canonical SMILES for N-[(5R)-5-[(E)-but-2-en-2-yl]-1-[3-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-methyl-2-oxopyridine-3-carboxamide;molecular hydrogen is C/C=C(\C)[C@H]1CC(NC(=O)c2cccn(C)c2=O)CN1c1ccc2ncc(C(F)(F)F)n2n1.[H][H].
What is the InChIKey of N-[(5R)-5-[(E)-but-2-en-2-yl]-1-[3-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-methyl-2-oxopyridine-3-carboxamide;molecular hydrogen?
The InChIKey is ITOVCIWEFBHMFW-CKHXTTJYSA-N. The full InChI is InChI=1S/C22H23F3N6O2.H2/c1-4-13(2)16-10-14(27-20(32)15-6-5-9-29(3)21(15)33)12-30(16)19-8-7-18-26-11-17(22(23,24)25)31(18)28-19;/h4-9,11,14,16H,10,12H2,1-3H3,(H,27,32);1H/b13-4+;/t14?,16-;/m1./s1.
What are the key properties of N-[(5R)-5-[(E)-but-2-en-2-yl]-1-[3-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-methyl-2-oxopyridine-3-carboxamide;molecular hydrogen?
N-[(5R)-5-[(E)-but-2-en-2-yl]-1-[3-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-methyl-2-oxopyridine-3-carboxamide;molecular hydrogen has a molecular weight of 462.48 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-5-[(E)-but-2-en-2-yl]-1-[3-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-methyl-2-oxopyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 144737927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).