5-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione

C20H27N5O4 — CID 126862268

IUPAC5-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]cc(C(=O)N2CCC(Cn3nc(C(C)(C)C)ccc3=O)CC2)c1=O
InChIInChI=1S/C20H27N5O4/c1-20(2,3)15-5-6-16(26)25(22-15)12-13-7-9-24(10-8-13)18(28)14-11-21-19(29)23(4)17(14)27/h5-6,11,13H,7-10,12H2,1-4H3,(H,21,29)
InChIKeyKQCSEOZUHUKLIK-UHFFFAOYSA-N
MW401.47 g/mol
LogP0.48
Rot. Bonds3

About 5-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione

5-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 126862268) has the molecular formula C20H27N5O4 and a molecular weight of 401.47 g/mol. Its IUPAC name is 5-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID126862268
Molecular FormulaC20H27N5O4
Molecular Weight401.47 g/mol
Exact Mass401.21
IUPAC Name5-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]cc(C(=O)N2CCC(Cn3nc(C(C)(C)C)ccc3=O)CC2)c1=O
InChIInChI=1S/C20H27N5O4/c1-20(2,3)15-5-6-16(26)25(22-15)12-13-7-9-24(10-8-13)18(28)14-11-21-19(29)23(4)17(14)27/h5-6,11,13H,7-10,12H2,1-4H3,(H,21,29)
InChIKeyKQCSEOZUHUKLIK-UHFFFAOYSA-N
XLogP0.48
TPSA110.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

3-methyl-5-[4-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 126862744
6-tert-butyl-2-[[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862256
6-tert-butyl-2-[[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862284
6-tert-butyl-2-[[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862257
6-tert-butyl-2-[[1-(5-oxopyrrolidine-2-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862227
6-tert-butyl-2-[[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862247
6-tert-butyl-2-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862236
6-tert-butyl-2-(cyclopropylmethyl)pyridazin-3-one
CID 126857323
5-[4-[(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)oxymethyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione
CID 154576321
6-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
CID 126862381
N-[[1-[2-(3-tert-butyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 126937849
6-tert-butyl-2-[[1-(cyclobutanecarbonyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927631

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione (CID 126862268) is 5-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione is Cn1c(=O)[nH]cc(C(=O)N2CCC(Cn3nc(C(C)(C)C)ccc3=O)CC2)c1=O.
What is the InChIKey of 5-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is KQCSEOZUHUKLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O4/c1-20(2,3)15-5-6-16(26)25(22-15)12-13-7-9-24(10-8-13)18(28)14-11-21-19(29)23(4)17(14)27/h5-6,11,13H,7-10,12H2,1-4H3,(H,21,29).
What are the key properties of 5-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione?
5-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 401.47 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 126862268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).