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

C21H29N5O3 — CID 97283779

IUPAC(4R)-4-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl]-1-methylpyrrolidin-2-one
SMILESCN1C[C@H](C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CCC2)CC1=O
InChIInChI=1S/C21H29N5O3/c1-24-12-15(11-17(24)27)19(28)25-9-6-21(7-10-25)18-16(22-13-23-18)5-8-26(21)20(29)14-3-2-4-14/h13-15H,2-12H2,1H3,(H,22,23)/t15-/m1/s1
InChIKeyJRAXRQALLDVUFY-OAHLLOKOSA-N
MW399.50 g/mol
LogP0.89
Rot. Bonds2

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

(4R)-4-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl]-1-methylpyrrolidin-2-one (PubChem CID 97283779) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 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]-1-methylpyrrolidin-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]-1-methylpyrrolidin-2-one
PubChem CID97283779
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC Name(4R)-4-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl]-1-methylpyrrolidin-2-one
SMILESCN1C[C@H](C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CCC2)CC1=O
InChIInChI=1S/C21H29N5O3/c1-24-12-15(11-17(24)27)19(28)25-9-6-21(7-10-25)18-16(22-13-23-18)5-8-26(21)20(29)14-3-2-4-14/h13-15H,2-12H2,1H3,(H,22,23)/t15-/m1/s1
InChIKeyJRAXRQALLDVUFY-OAHLLOKOSA-N
XLogP0.89
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl]pyrrolidin-2-one
CID 97133007
cyclobutyl-[1'-[(3R)-oxolane-3-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
CID 97117469
cyclobutyl-[1'-[(2S)-pyrrolidine-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone;dihydrochloride
CID 154899418
(4S)-4-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl]pyrrolidin-2-one
CID 97286630
(2S)-1-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-pyrrolidin-1-ylpropan-1-one
CID 97272172
1-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-propan-2-ylsulfanylethanone
CID 72886657
2-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]acetic acid
CID 72866650
(2R)-1-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-methoxybutan-1-one
CID 97124769
cyclopropyl-[1'-[(5R)-3-methyl-4,5-dihydro-1,2-oxazole-5-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
CID 97279962
cyclobutyl-[1'-(cyclopentylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
CID 86283323
cyclopropyl-[1'-(6-methylpyridine-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
CID 72924359
cyclopropyl-[1'-(5-methylthiophene-2-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
CID 72854553

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]-1-methylpyrrolidin-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]-1-methylpyrrolidin-2-one (CID 97283779) is (4R)-4-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl]-1-methylpyrrolidin-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]-1-methylpyrrolidin-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]-1-methylpyrrolidin-2-one is CN1C[C@H](C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CCC2)CC1=O.
What is the InChIKey of (4R)-4-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl]-1-methylpyrrolidin-2-one?
The InChIKey is JRAXRQALLDVUFY-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-24-12-15(11-17(24)27)19(28)25-9-6-21(7-10-25)18-16(22-13-23-18)5-8-26(21)20(29)14-3-2-4-14/h13-15H,2-12H2,1H3,(H,22,23)/t15-/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]-1-methylpyrrolidin-2-one?
(4R)-4-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl]-1-methylpyrrolidin-2-one has a molecular weight of 399.50 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 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]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 97283779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).