(4R)-4-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl]pyrrolidin-2-one

C20H27N5O3 — CID 97133007

About (4R)-4-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl]pyrrolidin-2-one

(4R)-4-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl]pyrrolidin-2-one (PubChem CID 97133007) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is (4R)-4-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: (4R)-4-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl]pyrrolidin-2-one
• PubChem CID: 97133007
• Molecular Formula: C20H27N5O3
• Molecular Weight: 385.47 g/mol
• Exact Mass: 385.21
• IUPAC Name: (4R)-4-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl]pyrrolidin-2-one
• SMILES: O=C1C[C@@H](C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CCC2)CN1
• InChI: InChI=1S/C20H27N5O3/c26-16-10-14(11-21-16)18(27)24-8-5-20(6-9-24)17-15(22-12-23-17)4-7-25(20)19(28)13-2-1-3-13/h12-14H,1-11H2,(H,21,26)(H,22,23)/t14-/m1/s1
• InChIKey: PBWOGRJVYMFOFK-CQSZACIVSA-N
• XLogP: 0.55
• TPSA: 98.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.47
LogP ≤ 5	0.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl]pyrrolidin-2-one?

The IUPAC name of (4R)-4-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl]pyrrolidin-2-one (CID 97133007) is (4R)-4-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl]pyrrolidin-2-one.

What is the SMILES notation for (4R)-4-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl]pyrrolidin-2-one?

The canonical SMILES for (4R)-4-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl]pyrrolidin-2-one is O=C1C[C@@H](C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CCC2)CN1.

What is the InChIKey of (4R)-4-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl]pyrrolidin-2-one?

The InChIKey is PBWOGRJVYMFOFK-CQSZACIVSA-N. The full InChI is InChI=1S/C20H27N5O3/c26-16-10-14(11-21-16)18(27)24-8-5-20(6-9-24)17-15(22-12-23-17)4-7-25(20)19(28)13-2-1-3-13/h12-14H,1-11H2,(H,21,26)(H,22,23)/t14-/m1/s1.

What are the key properties of (4R)-4-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl]pyrrolidin-2-one?

(4R)-4-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl]pyrrolidin-2-one has a molecular weight of 385.47 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 97133007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).