[2-(2-methylprop-2-enoxy)phenyl]-(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

C22H22N4O2 — CID 46982916

IUPAC[2-(2-methylprop-2-enoxy)phenyl]-(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESC=C(C)COc1ccccc1C(=O)N1CCc2[nH]cnc2C1c1ccccn1
InChIInChI=1S/C22H22N4O2/c1-15(2)13-28-19-9-4-3-7-16(19)22(27)26-12-10-17-20(25-14-24-17)21(26)18-8-5-6-11-23-18/h3-9,11,14,21H,1,10,12-13H2,2H3,(H,24,25)
InChIKeyJDYCNVYYDJQRSO-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.55
Rot. Bonds5

About [2-(2-methylprop-2-enoxy)phenyl]-(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

[2-(2-methylprop-2-enoxy)phenyl]-(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (PubChem CID 46982916) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is [2-(2-methylprop-2-enoxy)phenyl]-(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[2-(2-methylprop-2-enoxy)phenyl]-(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
PubChem CID46982916
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name[2-(2-methylprop-2-enoxy)phenyl]-(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESC=C(C)COc1ccccc1C(=O)N1CCc2[nH]cnc2C1c1ccccn1
InChIInChI=1S/C22H22N4O2/c1-15(2)13-28-19-9-4-3-7-16(19)22(27)26-12-10-17-20(25-14-24-17)21(26)18-8-5-6-11-23-18/h3-9,11,14,21H,1,10,12-13H2,2H3,(H,24,25)
InChIKeyJDYCNVYYDJQRSO-UHFFFAOYSA-N
XLogP3.55
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 24791786
methyl 4,5-dimethoxy-2-[[(4R)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 51974501
methyl 4-[[(4S)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 39377567
[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(4S)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 97151262
methyl 5-fluoro-2-[[(4S)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 51974157
(1-oxidopyridin-1-ium-3-yl)-(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone;bis(2,2,2-trifluoroacetic acid)
CID 154885800
(3-chloro-1-methylpyrazol-4-yl)-[(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170193642
N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 46997726
(1-chloro-3-methylpyrazol-4-yl)-[(4S)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 176863140
1-[2-[(1R)-1-pyridin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl]phenyl]ethanone
CID 42595864
(2-ethylpyrazol-3-yl)-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170384831
[(4S)-4-cinnolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methyl-2-pyridin-2-yl-1,3-oxazol-5-yl)methanone
CID 169166643

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylprop-2-enoxy)phenyl]-(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of [2-(2-methylprop-2-enoxy)phenyl]-(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (CID 46982916) is [2-(2-methylprop-2-enoxy)phenyl]-(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for [2-(2-methylprop-2-enoxy)phenyl]-(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for [2-(2-methylprop-2-enoxy)phenyl]-(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is C=C(C)COc1ccccc1C(=O)N1CCc2[nH]cnc2C1c1ccccn1.
What is the InChIKey of [2-(2-methylprop-2-enoxy)phenyl]-(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is JDYCNVYYDJQRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-15(2)13-28-19-9-4-3-7-16(19)22(27)26-12-10-17-20(25-14-24-17)21(26)18-8-5-6-11-23-18/h3-9,11,14,21H,1,10,12-13H2,2H3,(H,24,25).
What are the key properties of [2-(2-methylprop-2-enoxy)phenyl]-(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
[2-(2-methylprop-2-enoxy)phenyl]-(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 374.44 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylprop-2-enoxy)phenyl]-(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 46982916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).