2-cyclopropyl-1'-(1H-imidazole-5-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one

C18H21N5O2 — CID 154820188

IUPAC2-cyclopropyl-1'-(1H-imidazole-5-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
SMILESO=C(c1cnc[nH]1)N1CCCC2(CCc3c2nc(C2CC2)[nH]c3=O)C1
InChIInChI=1S/C18H21N5O2/c24-16-12-4-6-18(14(12)21-15(22-16)11-2-3-11)5-1-7-23(9-18)17(25)13-8-19-10-20-13/h8,10-11H,1-7,9H2,(H,19,20)(H,21,22,24)
InChIKeyCHBJVSQPSJBJRI-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.49
Rot. Bonds2

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

2-cyclopropyl-1'-(1H-imidazole-5-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one (PubChem CID 154820188) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-cyclopropyl-1'-(1H-imidazole-5-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one.

Molecular Properties

Compound Name2-cyclopropyl-1'-(1H-imidazole-5-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
PubChem CID154820188
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name2-cyclopropyl-1'-(1H-imidazole-5-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
SMILESO=C(c1cnc[nH]1)N1CCCC2(CCc3c2nc(C2CC2)[nH]c3=O)C1
InChIInChI=1S/C18H21N5O2/c24-16-12-4-6-18(14(12)21-15(22-16)11-2-3-11)5-1-7-23(9-18)17(25)13-8-19-10-20-13/h8,10-11H,1-7,9H2,(H,19,20)(H,21,22,24)
InChIKeyCHBJVSQPSJBJRI-UHFFFAOYSA-N
XLogP1.49
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-1'-(1H-imidazole-5-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-cyclopropyl-1'-(1H-imidazole-5-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The IUPAC name of 2-cyclopropyl-1'-(1H-imidazole-5-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one (CID 154820188) is 2-cyclopropyl-1'-(1H-imidazole-5-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one.
What is the SMILES notation for 2-cyclopropyl-1'-(1H-imidazole-5-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The canonical SMILES for 2-cyclopropyl-1'-(1H-imidazole-5-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one is O=C(c1cnc[nH]1)N1CCCC2(CCc3c2nc(C2CC2)[nH]c3=O)C1.
What is the InChIKey of 2-cyclopropyl-1'-(1H-imidazole-5-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The InChIKey is CHBJVSQPSJBJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c24-16-12-4-6-18(14(12)21-15(22-16)11-2-3-11)5-1-7-23(9-18)17(25)13-8-19-10-20-13/h8,10-11H,1-7,9H2,(H,19,20)(H,21,22,24).
What are the key properties of 2-cyclopropyl-1'-(1H-imidazole-5-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
2-cyclopropyl-1'-(1H-imidazole-5-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one has a molecular weight of 339.40 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1'-(1H-imidazole-5-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one is sourced from PubChem (CID 154820188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).