2-methyl-N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]propanamide;2,2,2-trifluoroacetic acid

C24H22F3N5O3 — CID 69319203

IUPAC2-methyl-N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]propanamide;2,2,2-trifluoroacetic acid
SMILESCc1cccc(-c2nc3cccnn3c2-c2ccnc(NC(=O)C(C)C)c2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H21N5O.C2HF3O2/c1-14(2)22(28)25-18-13-17(9-11-23-18)21-20(16-7-4-6-15(3)12-16)26-19-8-5-10-24-27(19)21;3-2(4,5)1(6)7/h4-14H,1-3H3,(H,23,25,28);(H,6,7)
InChIKeyQYICYZMLKTWLKF-UHFFFAOYSA-N
MW485.47 g/mol
LogP4.99
Rot. Bonds4

About 2-methyl-N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]propanamide;2,2,2-trifluoroacetic acid

2-methyl-N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]propanamide;2,2,2-trifluoroacetic acid (PubChem CID 69319203) has the molecular formula C24H22F3N5O3 and a molecular weight of 485.47 g/mol. Its IUPAC name is 2-methyl-N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]propanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-methyl-N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]propanamide;2,2,2-trifluoroacetic acid
PubChem CID69319203
Molecular FormulaC24H22F3N5O3
Molecular Weight485.47 g/mol
Exact Mass485.17
IUPAC Name2-methyl-N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]propanamide;2,2,2-trifluoroacetic acid
SMILESCc1cccc(-c2nc3cccnn3c2-c2ccnc(NC(=O)C(C)C)c2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H21N5O.C2HF3O2/c1-14(2)22(28)25-18-13-17(9-11-23-18)21-20(16-7-4-6-15(3)12-16)26-19-8-5-10-24-27(19)21;3-2(4,5)1(6)7/h4-14H,1-3H3,(H,23,25,28);(H,6,7)
InChIKeyQYICYZMLKTWLKF-UHFFFAOYSA-N
XLogP4.99
TPSA109.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.47
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]propanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-methyl-N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]propanamide;2,2,2-trifluoroacetic acid (CID 69319203) is 2-methyl-N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]propanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-methyl-N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]propanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-methyl-N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]propanamide;2,2,2-trifluoroacetic acid is Cc1cccc(-c2nc3cccnn3c2-c2ccnc(NC(=O)C(C)C)c2)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-methyl-N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]propanamide;2,2,2-trifluoroacetic acid?
The InChIKey is QYICYZMLKTWLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O.C2HF3O2/c1-14(2)22(28)25-18-13-17(9-11-23-18)21-20(16-7-4-6-15(3)12-16)26-19-8-5-10-24-27(19)21;3-2(4,5)1(6)7/h4-14H,1-3H3,(H,23,25,28);(H,6,7).
What are the key properties of 2-methyl-N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]propanamide;2,2,2-trifluoroacetic acid?
2-methyl-N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]propanamide;2,2,2-trifluoroacetic acid has a molecular weight of 485.47 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]propanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69319203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).