6-tert-butyl-2-[[1-[(1-cyclopropylimidazol-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one

C21H31N5O — CID 126862498

IUPAC6-tert-butyl-2-[[1-[(1-cyclopropylimidazol-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CCN(Cc3nccn3C3CC3)CC2)n1
InChIInChI=1S/C21H31N5O/c1-21(2,3)18-6-7-20(27)26(23-18)14-16-8-11-24(12-9-16)15-19-22-10-13-25(19)17-4-5-17/h6-7,10,13,16-17H,4-5,8-9,11-12,14-15H2,1-3H3
InChIKeyZTUBVYCANTXKFU-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.98
Rot. Bonds5

About 6-tert-butyl-2-[[1-[(1-cyclopropylimidazol-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one

6-tert-butyl-2-[[1-[(1-cyclopropylimidazol-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 126862498) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is 6-tert-butyl-2-[[1-[(1-cyclopropylimidazol-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-[[1-[(1-cyclopropylimidazol-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
PubChem CID126862498
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC Name6-tert-butyl-2-[[1-[(1-cyclopropylimidazol-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CCN(Cc3nccn3C3CC3)CC2)n1
InChIInChI=1S/C21H31N5O/c1-21(2,3)18-6-7-20(27)26(23-18)14-16-8-11-24(12-9-16)15-19-22-10-13-25(19)17-4-5-17/h6-7,10,13,16-17H,4-5,8-9,11-12,14-15H2,1-3H3
InChIKeyZTUBVYCANTXKFU-UHFFFAOYSA-N
XLogP2.98
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-tert-butyl-2-[[1-[(1-cyclopropylimidazol-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one with MolForge

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Related Compounds

6-tert-butyl-2-(cyclopropylmethyl)pyridazin-3-one
CID 126857323
2-[[1-[(1-cyclopropylimidazol-2-yl)methyl]piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862966
6-tert-butyl-2-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862353
6-tert-butyl-2-[[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927851
6-tert-butyl-2-[[1-[(5-oxopyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126862544
2-[2-[4-[(1-cyclopropylimidazol-2-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913460
6-tert-butyl-2-[[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862625
6-tert-butyl-2-[[1-(2-pyrrolidin-1-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927754
6-tert-butyl-2-[[1-[(3,5-difluorophenyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126928040
6-tert-butyl-2-[[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862284
3-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]pyridazine-4-carbonitrile
CID 126862595
2-[[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863595

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[[1-[(1-cyclopropylimidazol-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-[[1-[(1-cyclopropylimidazol-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one (CID 126862498) is 6-tert-butyl-2-[[1-[(1-cyclopropylimidazol-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-[[1-[(1-cyclopropylimidazol-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-[[1-[(1-cyclopropylimidazol-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one is CC(C)(C)c1ccc(=O)n(CC2CCN(Cc3nccn3C3CC3)CC2)n1.
What is the InChIKey of 6-tert-butyl-2-[[1-[(1-cyclopropylimidazol-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is ZTUBVYCANTXKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O/c1-21(2,3)18-6-7-20(27)26(23-18)14-16-8-11-24(12-9-16)15-19-22-10-13-25(19)17-4-5-17/h6-7,10,13,16-17H,4-5,8-9,11-12,14-15H2,1-3H3.
What are the key properties of 6-tert-butyl-2-[[1-[(1-cyclopropylimidazol-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one?
6-tert-butyl-2-[[1-[(1-cyclopropylimidazol-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 369.51 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[[1-[(1-cyclopropylimidazol-2-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126862498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).