furan-2-yl-[(4S)-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C19H24N4O2 — CID 95200329

IUPACfuran-2-yl-[(4S)-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCCCN1CCC=C([C@H]2c3nc[nH]c3CCN2C(=O)c2ccco2)C1
InChIInChI=1S/C19H24N4O2/c1-2-8-22-9-3-5-14(12-22)18-17-15(20-13-21-17)7-10-23(18)19(24)16-6-4-11-25-16/h4-6,11,13,18H,2-3,7-10,12H2,1H3,(H,20,21)/t18-/m0/s1
InChIKeyGMNYWDIEZMAXRV-SFHVURJKSA-N
MW340.43 g/mol
LogP2.78
Rot. Bonds4

About furan-2-yl-[(4S)-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

furan-2-yl-[(4S)-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 95200329) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is furan-2-yl-[(4S)-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[(4S)-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID95200329
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Namefuran-2-yl-[(4S)-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCCCN1CCC=C([C@H]2c3nc[nH]c3CCN2C(=O)c2ccco2)C1
InChIInChI=1S/C19H24N4O2/c1-2-8-22-9-3-5-14(12-22)18-17-15(20-13-21-17)7-10-23(18)19(24)16-6-4-11-25-16/h4-6,11,13,18H,2-3,7-10,12H2,1H3,(H,20,21)/t18-/m0/s1
InChIKeyGMNYWDIEZMAXRV-SFHVURJKSA-N
XLogP2.78
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze furan-2-yl-[(4S)-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone with MolForge

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Related Compounds

4-(furan-2-yl)-N-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbothioamide
CID 21330771
[4-(7-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone
CID 170333548
[4-(furan-2-carbonyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl)methanone;dihydrochloride
CID 154894348
[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone
CID 177297673
[(4S)-4-(7-methyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone
CID 169163741
[4-(1-benzothiophen-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone
CID 170725094
(2-propyl-4-pyridinyl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 50966520
[(4S)-4-(3-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone
CID 169164360
(4S)-4-(furan-2-yl)-5-(2-phenylmethoxyethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95209463
(4-methyl-1,3-oxazol-5-yl)-[4-(7-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 170332547
[5-ethyl-4-(methoxymethyl)furan-2-yl]-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 92588449
N-(5-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-2-carboxamide
CID 44976263

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[(4S)-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of furan-2-yl-[(4S)-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 95200329) is furan-2-yl-[(4S)-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for furan-2-yl-[(4S)-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for furan-2-yl-[(4S)-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is CCCN1CCC=C([C@H]2c3nc[nH]c3CCN2C(=O)c2ccco2)C1.
What is the InChIKey of furan-2-yl-[(4S)-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is GMNYWDIEZMAXRV-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-2-8-22-9-3-5-14(12-22)18-17-15(20-13-21-17)7-10-23(18)19(24)16-6-4-11-25-16/h4-6,11,13,18H,2-3,7-10,12H2,1H3,(H,20,21)/t18-/m0/s1.
What are the key properties of furan-2-yl-[(4S)-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
furan-2-yl-[(4S)-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 340.43 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[(4S)-4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 95200329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).