N-[6-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methylpropanamide

C24H27N5O2 — CID 162646545

IUPACN-[6-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methylpropanamide
SMILESCc1cc(-c2ccc3nc(NC(=O)C(C)C)cn3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2
InChIInChI=1S/C24H27N5O2/c1-13(2)23(30)26-20-12-29-21(25-20)8-7-19(27-29)17-9-14(3)22-18(10-17)11-28(24(22)31)15(4)16-5-6-16/h7-10,12-13,15-16H,5-6,11H2,1-4H3,(H,26,30)/t15-/m0/s1
InChIKeyMIOGYNUMVQFNOQ-HNNXBMFYSA-N
MW417.51 g/mol
LogP4.05
Rot. Bonds5

About N-[6-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methylpropanamide

N-[6-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methylpropanamide (PubChem CID 162646545) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[6-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[6-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methylpropanamide
PubChem CID162646545
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC NameN-[6-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methylpropanamide
SMILESCc1cc(-c2ccc3nc(NC(=O)C(C)C)cn3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2
InChIInChI=1S/C24H27N5O2/c1-13(2)23(30)26-20-12-29-21(25-20)8-7-19(27-29)17-9-14(3)22-18(10-17)11-28(24(22)31)15(4)16-5-6-16/h7-10,12-13,15-16H,5-6,11H2,1-4H3,(H,26,30)/t15-/m0/s1
InChIKeyMIOGYNUMVQFNOQ-HNNXBMFYSA-N
XLogP4.05
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methylpropanamide?
The IUPAC name of N-[6-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methylpropanamide (CID 162646545) is N-[6-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[6-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[6-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methylpropanamide is Cc1cc(-c2ccc3nc(NC(=O)C(C)C)cn3n2)cc2c1C(=O)N([C@@H](C)C1CC1)C2.
What is the InChIKey of N-[6-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methylpropanamide?
The InChIKey is MIOGYNUMVQFNOQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-13(2)23(30)26-20-12-29-21(25-20)8-7-19(27-29)17-9-14(3)22-18(10-17)11-28(24(22)31)15(4)16-5-6-16/h7-10,12-13,15-16H,5-6,11H2,1-4H3,(H,26,30)/t15-/m0/s1.
What are the key properties of N-[6-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methylpropanamide?
N-[6-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methylpropanamide has a molecular weight of 417.51 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]imidazo[1,2-b]pyridazin-2-yl]-2-methylpropanamide is sourced from PubChem (CID 162646545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).