N-[(4-piperidin-1-ylsulfinylphenyl)methyl]imidazo[1,2-b]pyridazine-6-carboxamide

C19H21N5O2S — CID 123806325

IUPACN-[(4-piperidin-1-ylsulfinylphenyl)methyl]imidazo[1,2-b]pyridazine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)N2CCCCC2)cc1)c1ccc2nccn2n1
InChIInChI=1S/C19H21N5O2S/c25-19(17-8-9-18-20-10-13-24(18)22-17)21-14-15-4-6-16(7-5-15)27(26)23-11-2-1-3-12-23/h4-10,13H,1-3,11-12,14H2,(H,21,25)
InChIKeyXXONEYVWIXYGFE-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.17
Rot. Bonds5

About N-[(4-piperidin-1-ylsulfinylphenyl)methyl]imidazo[1,2-b]pyridazine-6-carboxamide

N-[(4-piperidin-1-ylsulfinylphenyl)methyl]imidazo[1,2-b]pyridazine-6-carboxamide (PubChem CID 123806325) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is N-[(4-piperidin-1-ylsulfinylphenyl)methyl]imidazo[1,2-b]pyridazine-6-carboxamide.

Molecular Properties

Compound NameN-[(4-piperidin-1-ylsulfinylphenyl)methyl]imidazo[1,2-b]pyridazine-6-carboxamide
PubChem CID123806325
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC NameN-[(4-piperidin-1-ylsulfinylphenyl)methyl]imidazo[1,2-b]pyridazine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)N2CCCCC2)cc1)c1ccc2nccn2n1
InChIInChI=1S/C19H21N5O2S/c25-19(17-8-9-18-20-10-13-24(18)22-17)21-14-15-4-6-16(7-5-15)27(26)23-11-2-1-3-12-23/h4-10,13H,1-3,11-12,14H2,(H,21,25)
InChIKeyXXONEYVWIXYGFE-UHFFFAOYSA-N
XLogP2.17
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-piperidin-1-ylsulfinylphenyl)methyl]imidazo[1,2-b]pyridazine-6-carboxamide?
The IUPAC name of N-[(4-piperidin-1-ylsulfinylphenyl)methyl]imidazo[1,2-b]pyridazine-6-carboxamide (CID 123806325) is N-[(4-piperidin-1-ylsulfinylphenyl)methyl]imidazo[1,2-b]pyridazine-6-carboxamide.
What is the SMILES notation for N-[(4-piperidin-1-ylsulfinylphenyl)methyl]imidazo[1,2-b]pyridazine-6-carboxamide?
The canonical SMILES for N-[(4-piperidin-1-ylsulfinylphenyl)methyl]imidazo[1,2-b]pyridazine-6-carboxamide is O=C(NCc1ccc(S(=O)N2CCCCC2)cc1)c1ccc2nccn2n1.
What is the InChIKey of N-[(4-piperidin-1-ylsulfinylphenyl)methyl]imidazo[1,2-b]pyridazine-6-carboxamide?
The InChIKey is XXONEYVWIXYGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c25-19(17-8-9-18-20-10-13-24(18)22-17)21-14-15-4-6-16(7-5-15)27(26)23-11-2-1-3-12-23/h4-10,13H,1-3,11-12,14H2,(H,21,25).
What are the key properties of N-[(4-piperidin-1-ylsulfinylphenyl)methyl]imidazo[1,2-b]pyridazine-6-carboxamide?
N-[(4-piperidin-1-ylsulfinylphenyl)methyl]imidazo[1,2-b]pyridazine-6-carboxamide has a molecular weight of 383.48 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-piperidin-1-ylsulfinylphenyl)methyl]imidazo[1,2-b]pyridazine-6-carboxamide is sourced from PubChem (CID 123806325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).