(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(5,6,7,8-tetrahydroquinolin-3-yl)methanone

C22H29N5O — CID 72929853

IUPAC(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(5,6,7,8-tetrahydroquinolin-3-yl)methanone
SMILESCCN1CCc2[nH]cnc2C12CCN(C(=O)c1cnc3c(c1)CCCC3)CC2
InChIInChI=1S/C22H29N5O/c1-2-27-10-7-19-20(25-15-24-19)22(27)8-11-26(12-9-22)21(28)17-13-16-5-3-4-6-18(16)23-14-17/h13-15H,2-12H2,1H3,(H,24,25)
InChIKeyPXQMDZIIVSJPKX-UHFFFAOYSA-N
MW379.51 g/mol
LogP2.69
Rot. Bonds2

About (5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(5,6,7,8-tetrahydroquinolin-3-yl)methanone

(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(5,6,7,8-tetrahydroquinolin-3-yl)methanone (PubChem CID 72929853) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is (5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(5,6,7,8-tetrahydroquinolin-3-yl)methanone.

Molecular Properties

Compound Name(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(5,6,7,8-tetrahydroquinolin-3-yl)methanone
PubChem CID72929853
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(5,6,7,8-tetrahydroquinolin-3-yl)methanone
SMILESCCN1CCc2[nH]cnc2C12CCN(C(=O)c1cnc3c(c1)CCCC3)CC2
InChIInChI=1S/C22H29N5O/c1-2-27-10-7-19-20(25-15-24-19)22(27)8-11-26(12-9-22)21(28)17-13-16-5-3-4-6-18(16)23-14-17/h13-15H,2-12H2,1H3,(H,24,25)
InChIKeyPXQMDZIIVSJPKX-UHFFFAOYSA-N
XLogP2.69
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 72859382
(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 72885565
(5-fluoro-3-pyridinyl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone
CID 72936148
(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-[5-(methoxymethyl)thiophen-2-yl]methanone
CID 72868232
[3-(dimethylamino)phenyl]-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
CID 72906423
(4-hydroxy-3-methylphenyl)-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
CID 72843067
[1-(difluoromethyl)pyrazol-3-yl]-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
CID 72901157
1-[1'-(2,3-dihydro-1-benzofuran-5-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one
CID 72841244
1-[1'-(6-aminopyridine-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one
CID 72868450
(1-ethyl-5-methylpyrazol-4-yl)-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
CID 72890289
(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 72905582
(2R)-1-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-(4-methylpyrazol-1-yl)propan-1-one
CID 97117172

Frequently Asked Questions

What is the IUPAC name of (5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(5,6,7,8-tetrahydroquinolin-3-yl)methanone?
The IUPAC name of (5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(5,6,7,8-tetrahydroquinolin-3-yl)methanone (CID 72929853) is (5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(5,6,7,8-tetrahydroquinolin-3-yl)methanone.
What is the SMILES notation for (5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(5,6,7,8-tetrahydroquinolin-3-yl)methanone?
The canonical SMILES for (5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(5,6,7,8-tetrahydroquinolin-3-yl)methanone is CCN1CCc2[nH]cnc2C12CCN(C(=O)c1cnc3c(c1)CCCC3)CC2.
What is the InChIKey of (5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(5,6,7,8-tetrahydroquinolin-3-yl)methanone?
The InChIKey is PXQMDZIIVSJPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-2-27-10-7-19-20(25-15-24-19)22(27)8-11-26(12-9-22)21(28)17-13-16-5-3-4-6-18(16)23-14-17/h13-15H,2-12H2,1H3,(H,24,25).
What are the key properties of (5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(5,6,7,8-tetrahydroquinolin-3-yl)methanone?
(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(5,6,7,8-tetrahydroquinolin-3-yl)methanone has a molecular weight of 379.51 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(5,6,7,8-tetrahydroquinolin-3-yl)methanone is sourced from PubChem (CID 72929853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).