2-tert-butyl-1'-(1,6-dimethyl-2-oxopyridine-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one

C23H30N4O3 — CID 154563474

IUPAC2-tert-butyl-1'-(1,6-dimethyl-2-oxopyridine-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
SMILESCc1ccc(C(=O)N2CCCC3(CCc4c3nc(C(C)(C)C)[nH]c4=O)C2)c(=O)n1C
InChIInChI=1S/C23H30N4O3/c1-14-7-8-16(19(29)26(14)5)20(30)27-12-6-10-23(13-27)11-9-15-17(23)24-21(22(2,3)4)25-18(15)28/h7-8H,6,9-13H2,1-5H3,(H,24,25,28)
InChIKeyCMPVHOFYHAJLBA-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.19
Rot. Bonds1

About 2-tert-butyl-1'-(1,6-dimethyl-2-oxopyridine-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one

2-tert-butyl-1'-(1,6-dimethyl-2-oxopyridine-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one (PubChem CID 154563474) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-tert-butyl-1'-(1,6-dimethyl-2-oxopyridine-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one.

Molecular Properties

Compound Name2-tert-butyl-1'-(1,6-dimethyl-2-oxopyridine-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
PubChem CID154563474
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name2-tert-butyl-1'-(1,6-dimethyl-2-oxopyridine-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
SMILESCc1ccc(C(=O)N2CCCC3(CCc4c3nc(C(C)(C)C)[nH]c4=O)C2)c(=O)n1C
InChIInChI=1S/C23H30N4O3/c1-14-7-8-16(19(29)26(14)5)20(30)27-12-6-10-23(13-27)11-9-15-17(23)24-21(22(2,3)4)25-18(15)28/h7-8H,6,9-13H2,1-5H3,(H,24,25,28)
InChIKeyCMPVHOFYHAJLBA-UHFFFAOYSA-N
XLogP2.19
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-tert-butyl-1'-(1,6-dimethyl-2-oxopyridine-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1'-(1,6-dimethyl-2-oxopyridine-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The IUPAC name of 2-tert-butyl-1'-(1,6-dimethyl-2-oxopyridine-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one (CID 154563474) is 2-tert-butyl-1'-(1,6-dimethyl-2-oxopyridine-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one.
What is the SMILES notation for 2-tert-butyl-1'-(1,6-dimethyl-2-oxopyridine-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The canonical SMILES for 2-tert-butyl-1'-(1,6-dimethyl-2-oxopyridine-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one is Cc1ccc(C(=O)N2CCCC3(CCc4c3nc(C(C)(C)C)[nH]c4=O)C2)c(=O)n1C.
What is the InChIKey of 2-tert-butyl-1'-(1,6-dimethyl-2-oxopyridine-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The InChIKey is CMPVHOFYHAJLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-14-7-8-16(19(29)26(14)5)20(30)27-12-6-10-23(13-27)11-9-15-17(23)24-21(22(2,3)4)25-18(15)28/h7-8H,6,9-13H2,1-5H3,(H,24,25,28).
What are the key properties of 2-tert-butyl-1'-(1,6-dimethyl-2-oxopyridine-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
2-tert-butyl-1'-(1,6-dimethyl-2-oxopyridine-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one has a molecular weight of 410.52 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1'-(1,6-dimethyl-2-oxopyridine-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one is sourced from PubChem (CID 154563474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).