6-tert-butyl-3-[[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one

C22H32N6O — CID 126944699

IUPAC6-tert-butyl-3-[[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCN1CCc2nnc(N3CCC(Cn4cnc(C(C)(C)C)cc4=O)CC3)cc2C1
InChIInChI=1S/C22H32N6O/c1-22(2,3)19-12-21(29)28(15-23-19)13-16-5-9-27(10-6-16)20-11-17-14-26(4)8-7-18(17)24-25-20/h11-12,15-16H,5-10,13-14H2,1-4H3
InChIKeyOYOZPKMJTLZADI-UHFFFAOYSA-N
MW396.54 g/mol
LogP2.24
Rot. Bonds3

About 6-tert-butyl-3-[[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one

6-tert-butyl-3-[[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126944699) has the molecular formula C22H32N6O and a molecular weight of 396.54 g/mol. Its IUPAC name is 6-tert-butyl-3-[[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-tert-butyl-3-[[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126944699
Molecular FormulaC22H32N6O
Molecular Weight396.54 g/mol
Exact Mass396.26
IUPAC Name6-tert-butyl-3-[[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCN1CCc2nnc(N3CCC(Cn4cnc(C(C)(C)C)cc4=O)CC3)cc2C1
InChIInChI=1S/C22H32N6O/c1-22(2,3)19-12-21(29)28(15-23-19)13-16-5-9-27(10-6-16)20-11-17-14-26(4)8-7-18(17)24-25-20/h11-12,15-16H,5-10,13-14H2,1-4H3
InChIKeyOYOZPKMJTLZADI-UHFFFAOYSA-N
XLogP2.24
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-tert-butyl-3-[[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

6-tert-butyl-3-[[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944617
6-tert-butyl-3-[(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)methyl]pyrimidin-4-one
CID 126944416
3-[[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942453
3-[4-[(4-tert-butyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 126944336
6-tert-butyl-3-[[1-[(1,1-dioxothian-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944581
6-tert-butyl-3-[[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944389
7-[[4-[(4-tert-butyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]-1-methylazepan-2-one
CID 126944440
6-pyridin-4-yl-3-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942875
3-(azetidin-3-ylmethyl)-6-tert-butylpyrimidin-4-one
CID 126857712
6-tert-butyl-3-[[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944613
6-tert-butyl-3-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944619
5,6-dimethyl-3-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941481

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-[[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-tert-butyl-3-[[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126944699) is 6-tert-butyl-3-[[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-tert-butyl-3-[[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-tert-butyl-3-[[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one is CN1CCc2nnc(N3CCC(Cn4cnc(C(C)(C)C)cc4=O)CC3)cc2C1.
What is the InChIKey of 6-tert-butyl-3-[[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is OYOZPKMJTLZADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O/c1-22(2,3)19-12-21(29)28(15-23-19)13-16-5-9-27(10-6-16)20-11-17-14-26(4)8-7-18(17)24-25-20/h11-12,15-16H,5-10,13-14H2,1-4H3.
What are the key properties of 6-tert-butyl-3-[[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
6-tert-butyl-3-[[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 396.54 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-[[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126944699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).