(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

C22H33N5O2 — CID 97272172

IUPAC(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
SMILESC[C@@H](C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CCC1)N1CCCC1
InChIInChI=1S/C22H33N5O2/c1-16(25-10-2-3-11-25)20(28)26-13-8-22(9-14-26)19-18(23-15-24-19)7-12-27(22)21(29)17-5-4-6-17/h15-17H,2-14H2,1H3,(H,23,24)/t16-/m0/s1
InChIKeyCTMXKPWJXLZZAZ-INIZCTEOSA-N
MW399.54 g/mol
LogP1.90
Rot. Bonds3

About (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

(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 (PubChem CID 97272172) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID97272172
Molecular FormulaC22H33N5O2
Molecular Weight399.54 g/mol
Exact Mass399.26
IUPAC Name(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
SMILESC[C@@H](C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CCC1)N1CCCC1
InChIInChI=1S/C22H33N5O2/c1-16(25-10-2-3-11-25)20(28)26-13-8-22(9-14-26)19-18(23-15-24-19)7-12-27(22)21(29)17-5-4-6-17/h15-17H,2-14H2,1H3,(H,23,24)/t16-/m0/s1
InChIKeyCTMXKPWJXLZZAZ-INIZCTEOSA-N
XLogP1.90
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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
1-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-propan-2-ylsulfanylethanone
CID 72886657
cyclobutyl-[1'-[(3R)-oxolane-3-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
CID 97117469
2-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]acetic acid
CID 72866650
(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'-[(2S)-pyrrolidine-2-carbonyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone;dihydrochloride
CID 154899418
(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
(2S)-1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
CID 97282472
cyclobutyl-[1'-(cyclopentylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
CID 86283323
(4S)-4-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl]pyrrolidin-2-one
CID 97286630
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'-[(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@@H](C(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CCC1)N1CCCC1.
What is the InChIKey of (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?
The InChIKey is CTMXKPWJXLZZAZ-INIZCTEOSA-N. The full InChI is InChI=1S/C22H33N5O2/c1-16(25-10-2-3-11-25)20(28)26-13-8-22(9-14-26)19-18(23-15-24-19)7-12-27(22)21(29)17-5-4-6-17/h15-17H,2-14H2,1H3,(H,23,24)/t16-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 399.54 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 97272172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).