(3-hydroxy-4-methylphenyl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone

C22H30N4O2 — CID 72934901

IUPAC(3-hydroxy-4-methylphenyl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone
SMILESCc1ccc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3CC(C)C)cc1O
InChIInChI=1S/C22H30N4O2/c1-15(2)13-26-9-6-18-20(24-14-23-18)22(26)7-10-25(11-8-22)21(28)17-5-4-16(3)19(27)12-17/h4-5,12,14-15,27H,6-11,13H2,1-3H3,(H,23,24)
InChIKeyQFLYDKUJMHLJHV-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.07
Rot. Bonds3

About (3-hydroxy-4-methylphenyl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone

(3-hydroxy-4-methylphenyl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone (PubChem CID 72934901) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is (3-hydroxy-4-methylphenyl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-4-methylphenyl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone
PubChem CID72934901
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name(3-hydroxy-4-methylphenyl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone
SMILESCc1ccc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3CC(C)C)cc1O
InChIInChI=1S/C22H30N4O2/c1-15(2)13-26-9-6-18-20(24-14-23-18)22(26)7-10-25(11-8-22)21(28)17-5-4-16(3)19(27)12-17/h4-5,12,14-15,27H,6-11,13H2,1-3H3,(H,23,24)
InChIKeyQFLYDKUJMHLJHV-UHFFFAOYSA-N
XLogP3.07
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-hydroxy-3-methylphenyl)-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
CID 72843067
(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-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-(1,3-thiazol-4-yl)methanone
CID 72879660
[3-(dimethylamino)phenyl]-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
CID 72906423
(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 72885565
3-methyl-5-[[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methyl]-1,2-oxazole
CID 72854623
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
1,3-benzothiazol-6-yl-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
CID 72934015
(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
cyclopropyl-[1'-(6-methylpyridine-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
CID 72924359
(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
1-[1'-(4-fluorobenzoyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone
CID 72839133

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4-methylphenyl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone?
The IUPAC name of (3-hydroxy-4-methylphenyl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone (CID 72934901) is (3-hydroxy-4-methylphenyl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone.
What is the SMILES notation for (3-hydroxy-4-methylphenyl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone?
The canonical SMILES for (3-hydroxy-4-methylphenyl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone is Cc1ccc(C(=O)N2CCC3(CC2)c2nc[nH]c2CCN3CC(C)C)cc1O.
What is the InChIKey of (3-hydroxy-4-methylphenyl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone?
The InChIKey is QFLYDKUJMHLJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-15(2)13-26-9-6-18-20(24-14-23-18)22(26)7-10-25(11-8-22)21(28)17-5-4-16(3)19(27)12-17/h4-5,12,14-15,27H,6-11,13H2,1-3H3,(H,23,24).
What are the key properties of (3-hydroxy-4-methylphenyl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone?
(3-hydroxy-4-methylphenyl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone has a molecular weight of 382.51 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-4-methylphenyl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone is sourced from PubChem (CID 72934901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).