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

C22H23N5O2 — CID 162661211

IUPACN-[6-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide
SMILESCC(=O)Nc1cn2nc(-c3cc(C)c4c(c3)CN([C@@H](C)C3CC3)C4=O)ccc2n1
InChIInChI=1S/C22H23N5O2/c1-12-8-16(9-17-10-26(22(29)21(12)17)13(2)15-4-5-15)18-6-7-20-24-19(23-14(3)28)11-27(20)25-18/h6-9,11,13,15H,4-5,10H2,1-3H3,(H,23,28)/t13-/m0/s1
InChIKeyILYGPEBVLJGUSE-ZDUSSCGKSA-N
MW389.46 g/mol
LogP3.42
Rot. Bonds4

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

N-[6-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide (PubChem CID 162661211) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 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]acetamide.

Molecular Properties

Compound NameN-[6-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide
PubChem CID162661211
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-[6-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide
SMILESCC(=O)Nc1cn2nc(-c3cc(C)c4c(c3)CN([C@@H](C)C3CC3)C4=O)ccc2n1
InChIInChI=1S/C22H23N5O2/c1-12-8-16(9-17-10-26(22(29)21(12)17)13(2)15-4-5-15)18-6-7-20-24-19(23-14(3)28)11-27(20)25-18/h6-9,11,13,15H,4-5,10H2,1-3H3,(H,23,28)/t13-/m0/s1
InChIKeyILYGPEBVLJGUSE-ZDUSSCGKSA-N
XLogP3.42
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.42
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]acetamide?
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]acetamide (CID 162661211) is N-[6-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide.
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]acetamide?
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]acetamide is CC(=O)Nc1cn2nc(-c3cc(C)c4c(c3)CN([C@@H](C)C3CC3)C4=O)ccc2n1.
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]acetamide?
The InChIKey is ILYGPEBVLJGUSE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-12-8-16(9-17-10-26(22(29)21(12)17)13(2)15-4-5-15)18-6-7-20-24-19(23-14(3)28)11-27(20)25-18/h6-9,11,13,15H,4-5,10H2,1-3H3,(H,23,28)/t13-/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]acetamide?
N-[6-[2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-3H-isoindol-5-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide has a molecular weight of 389.46 g/mol, XLogP of 3.42, 4 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]acetamide is sourced from PubChem (CID 162661211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).