N-[cycloheptyl-[6-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-3-methyl-2,3-dihydro-1,2,5-oxadiazole-4-carboxamide

C24H33N7O3 — CID 170598453

IUPACN-[cycloheptyl-[6-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-3-methyl-2,3-dihydro-1,2,5-oxadiazole-4-carboxamide
SMILESCC1NON=C1C(=O)NC(c1cn2nc(CC3CCCNC3=O)ccc2n1)C1CCCCCC1
InChIInChI=1S/C24H33N7O3/c1-15-21(30-34-29-15)24(33)27-22(16-7-4-2-3-5-8-16)19-14-31-20(26-19)11-10-18(28-31)13-17-9-6-12-25-23(17)32/h10-11,14-17,22,29H,2-9,12-13H2,1H3,(H,25,32)(H,27,33)
InChIKeyXACMFRXBEWHDJD-UHFFFAOYSA-N
MW467.57 g/mol
LogP2.20
Rot. Bonds6

About N-[cycloheptyl-[6-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-3-methyl-2,3-dihydro-1,2,5-oxadiazole-4-carboxamide

N-[cycloheptyl-[6-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-3-methyl-2,3-dihydro-1,2,5-oxadiazole-4-carboxamide (PubChem CID 170598453) has the molecular formula C24H33N7O3 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-[cycloheptyl-[6-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-3-methyl-2,3-dihydro-1,2,5-oxadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[cycloheptyl-[6-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-3-methyl-2,3-dihydro-1,2,5-oxadiazole-4-carboxamide
PubChem CID170598453
Molecular FormulaC24H33N7O3
Molecular Weight467.57 g/mol
Exact Mass467.26
IUPAC NameN-[cycloheptyl-[6-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-3-methyl-2,3-dihydro-1,2,5-oxadiazole-4-carboxamide
SMILESCC1NON=C1C(=O)NC(c1cn2nc(CC3CCCNC3=O)ccc2n1)C1CCCCCC1
InChIInChI=1S/C24H33N7O3/c1-15-21(30-34-29-15)24(33)27-22(16-7-4-2-3-5-8-16)19-14-31-20(26-19)11-10-18(28-31)13-17-9-6-12-25-23(17)32/h10-11,14-17,22,29H,2-9,12-13H2,1H3,(H,25,32)(H,27,33)
InChIKeyXACMFRXBEWHDJD-UHFFFAOYSA-N
XLogP2.20
TPSA122.01 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[cycloheptyl-[6-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-3-methyl-2,3-dihydro-1,2,5-oxadiazole-4-carboxamide?
The IUPAC name of N-[cycloheptyl-[6-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-3-methyl-2,3-dihydro-1,2,5-oxadiazole-4-carboxamide (CID 170598453) is N-[cycloheptyl-[6-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-3-methyl-2,3-dihydro-1,2,5-oxadiazole-4-carboxamide.
What is the SMILES notation for N-[cycloheptyl-[6-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-3-methyl-2,3-dihydro-1,2,5-oxadiazole-4-carboxamide?
The canonical SMILES for N-[cycloheptyl-[6-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-3-methyl-2,3-dihydro-1,2,5-oxadiazole-4-carboxamide is CC1NON=C1C(=O)NC(c1cn2nc(CC3CCCNC3=O)ccc2n1)C1CCCCCC1.
What is the InChIKey of N-[cycloheptyl-[6-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-3-methyl-2,3-dihydro-1,2,5-oxadiazole-4-carboxamide?
The InChIKey is XACMFRXBEWHDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O3/c1-15-21(30-34-29-15)24(33)27-22(16-7-4-2-3-5-8-16)19-14-31-20(26-19)11-10-18(28-31)13-17-9-6-12-25-23(17)32/h10-11,14-17,22,29H,2-9,12-13H2,1H3,(H,25,32)(H,27,33).
What are the key properties of N-[cycloheptyl-[6-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-3-methyl-2,3-dihydro-1,2,5-oxadiazole-4-carboxamide?
N-[cycloheptyl-[6-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-3-methyl-2,3-dihydro-1,2,5-oxadiazole-4-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cycloheptyl-[6-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-3-methyl-2,3-dihydro-1,2,5-oxadiazole-4-carboxamide is sourced from PubChem (CID 170598453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).