5-ethyl-1'-(2-methylquinolin-4-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]

C22H27N5 — CID 72854207

IUPAC5-ethyl-1'-(2-methylquinolin-4-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
SMILESCCN1CCc2[nH]cnc2C12CCN(c1cc(C)nc3ccccc13)CC2
InChIInChI=1S/C22H27N5/c1-3-27-11-8-19-21(24-15-23-19)22(27)9-12-26(13-10-22)20-14-16(2)25-18-7-5-4-6-17(18)20/h4-7,14-15H,3,8-13H2,1-2H3,(H,23,24)
InChIKeyKESJIKDKFKTMML-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.64
Rot. Bonds2

About 5-ethyl-1'-(2-methylquinolin-4-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]

5-ethyl-1'-(2-methylquinolin-4-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] (PubChem CID 72854207) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is 5-ethyl-1'-(2-methylquinolin-4-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine].

Molecular Properties

Compound Name5-ethyl-1'-(2-methylquinolin-4-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
PubChem CID72854207
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC Name5-ethyl-1'-(2-methylquinolin-4-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
SMILESCCN1CCc2[nH]cnc2C12CCN(c1cc(C)nc3ccccc13)CC2
InChIInChI=1S/C22H27N5/c1-3-27-11-8-19-21(24-15-23-19)22(27)9-12-26(13-10-22)20-14-16(2)25-18-7-5-4-6-17(18)20/h4-7,14-15H,3,8-13H2,1-2H3,(H,23,24)
InChIKeyKESJIKDKFKTMML-UHFFFAOYSA-N
XLogP3.64
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1'-(2-methylquinolin-4-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]?
The IUPAC name of 5-ethyl-1'-(2-methylquinolin-4-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] (CID 72854207) is 5-ethyl-1'-(2-methylquinolin-4-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine].
What is the SMILES notation for 5-ethyl-1'-(2-methylquinolin-4-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]?
The canonical SMILES for 5-ethyl-1'-(2-methylquinolin-4-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] is CCN1CCc2[nH]cnc2C12CCN(c1cc(C)nc3ccccc13)CC2.
What is the InChIKey of 5-ethyl-1'-(2-methylquinolin-4-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]?
The InChIKey is KESJIKDKFKTMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5/c1-3-27-11-8-19-21(24-15-23-19)22(27)9-12-26(13-10-22)20-14-16(2)25-18-7-5-4-6-17(18)20/h4-7,14-15H,3,8-13H2,1-2H3,(H,23,24).
What are the key properties of 5-ethyl-1'-(2-methylquinolin-4-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]?
5-ethyl-1'-(2-methylquinolin-4-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] has a molecular weight of 361.49 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1'-(2-methylquinolin-4-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine] is sourced from PubChem (CID 72854207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).