N-[[7-[(3-cyclopropylpropanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

C18H21N7O3 — CID 166825449

IUPACN-[[7-[(3-cyclopropylpropanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)NCc1cn2ncc(CNC(=O)CCC3CC3)cc2n1
InChIInChI=1S/C18H21N7O3/c1-11-17(24-28-23-11)18(27)20-9-14-10-25-15(22-14)6-13(8-21-25)7-19-16(26)5-4-12-2-3-12/h6,8,10,12H,2-5,7,9H2,1H3,(H,19,26)(H,20,27)
InChIKeyHTZALQYPSIVPLW-UHFFFAOYSA-N
MW383.41 g/mol
LogP1.16
Rot. Bonds8

About N-[[7-[(3-cyclopropylpropanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

N-[[7-[(3-cyclopropylpropanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 166825449) has the molecular formula C18H21N7O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-[[7-[(3-cyclopropylpropanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[[7-[(3-cyclopropylpropanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID166825449
Molecular FormulaC18H21N7O3
Molecular Weight383.41 g/mol
Exact Mass383.17
IUPAC NameN-[[7-[(3-cyclopropylpropanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)NCc1cn2ncc(CNC(=O)CCC3CC3)cc2n1
InChIInChI=1S/C18H21N7O3/c1-11-17(24-28-23-11)18(27)20-9-14-10-25-15(22-14)6-13(8-21-25)7-19-16(26)5-4-12-2-3-12/h6,8,10,12H,2-5,7,9H2,1H3,(H,19,26)(H,20,27)
InChIKeyHTZALQYPSIVPLW-UHFFFAOYSA-N
XLogP1.16
TPSA127.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[7-[(3-cyclopropylpropanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-[[7-[(3-cyclopropylpropanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (CID 166825449) is N-[[7-[(3-cyclopropylpropanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[[7-[(3-cyclopropylpropanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-[[7-[(3-cyclopropylpropanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)NCc1cn2ncc(CNC(=O)CCC3CC3)cc2n1.
What is the InChIKey of N-[[7-[(3-cyclopropylpropanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is HTZALQYPSIVPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O3/c1-11-17(24-28-23-11)18(27)20-9-14-10-25-15(22-14)6-13(8-21-25)7-19-16(26)5-4-12-2-3-12/h6,8,10,12H,2-5,7,9H2,1H3,(H,19,26)(H,20,27).
What are the key properties of N-[[7-[(3-cyclopropylpropanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
N-[[7-[(3-cyclopropylpropanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 383.41 g/mol, XLogP of 1.16, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-[(3-cyclopropylpropanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 166825449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).