2,2-dimethyl-N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]propanamide

C23H23N5O — CID 59759648

IUPAC2,2-dimethyl-N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]propanamide
SMILESCc1cccc(-c2nc3cccnn3c2-c2ccnc(NC(=O)C(C)(C)C)c2)c1
InChIInChI=1S/C23H23N5O/c1-15-7-5-8-16(13-15)20-21(28-19(27-20)9-6-11-25-28)17-10-12-24-18(14-17)26-22(29)23(2,3)4/h5-14H,1-4H3,(H,24,26,29)
InChIKeyWOGCKIKKZGUBEV-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.75
Rot. Bonds3

About 2,2-dimethyl-N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]propanamide

2,2-dimethyl-N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]propanamide (PubChem CID 59759648) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]propanamide
PubChem CID59759648
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name2,2-dimethyl-N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]propanamide
SMILESCc1cccc(-c2nc3cccnn3c2-c2ccnc(NC(=O)C(C)(C)C)c2)c1
InChIInChI=1S/C23H23N5O/c1-15-7-5-8-16(13-15)20-21(28-19(27-20)9-6-11-25-28)17-10-12-24-18(14-17)26-22(29)23(2,3)4/h5-14H,1-4H3,(H,24,26,29)
InChIKeyWOGCKIKKZGUBEV-UHFFFAOYSA-N
XLogP4.75
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]propanamide (CID 59759648) is 2,2-dimethyl-N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]propanamide is Cc1cccc(-c2nc3cccnn3c2-c2ccnc(NC(=O)C(C)(C)C)c2)c1.
What is the InChIKey of 2,2-dimethyl-N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]propanamide?
The InChIKey is WOGCKIKKZGUBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-15-7-5-8-16(13-15)20-21(28-19(27-20)9-6-11-25-28)17-10-12-24-18(14-17)26-22(29)23(2,3)4/h5-14H,1-4H3,(H,24,26,29).
What are the key properties of 2,2-dimethyl-N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]propanamide?
2,2-dimethyl-N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]propanamide has a molecular weight of 385.47 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-[2-(3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]propanamide is sourced from PubChem (CID 59759648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).