N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4-methylpyrazolo[1,5-a]pyridine-3-carboxamide

C19H24N4O2S — CID 137345085

IUPACN-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1cccn2ncc(C(=O)NCCSCc3ccc(CN(C)C)o3)c12
InChIInChI=1S/C19H24N4O2S/c1-14-5-4-9-23-18(14)17(11-21-23)19(24)20-8-10-26-13-16-7-6-15(25-16)12-22(2)3/h4-7,9,11H,8,10,12-13H2,1-3H3,(H,20,24)
InChIKeyZIRGXQVEZBTJSM-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.96
Rot. Bonds8

About N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4-methylpyrazolo[1,5-a]pyridine-3-carboxamide

N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4-methylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 137345085) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4-methylpyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4-methylpyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID137345085
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC NameN-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4-methylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1cccn2ncc(C(=O)NCCSCc3ccc(CN(C)C)o3)c12
InChIInChI=1S/C19H24N4O2S/c1-14-5-4-9-23-18(14)17(11-21-23)19(24)20-8-10-26-13-16-7-6-15(25-16)12-22(2)3/h4-7,9,11H,8,10,12-13H2,1-3H3,(H,20,24)
InChIKeyZIRGXQVEZBTJSM-UHFFFAOYSA-N
XLogP2.96
TPSA62.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]pyridine-3-carboxamide
CID 12831860
2-(benzenesulfonamido)-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]benzamide;oxalic acid
CID 70507423
N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-5-methylpyrimidin-2-amine
CID 72886323
1-(3-chloro-4-methylphenyl)-3-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]urea
CID 5082818
1-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-3-[3-(2-ethylimidazol-1-yl)propyl]thiourea
CID 13210772
3-N,4-N-bis[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1,2,5-oxadiazole-3,4-diamine
CID 14434275
ethyl 4-[(4-methylpyrazolo[1,5-a]pyridine-3-carbonyl)amino]piperidine-1-carboxylate
CID 138386106
1-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-3-[3-(4-methylimidazol-1-yl)propyl]thiourea
CID 13210774
2-[2-(pyrazolo[1,5-a]pyridine-3-carbonylamino)ethylsulfanyl]acetic acid
CID 119241632
3-N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4-N-methyl-1-oxo-2,5-dihydro-1,2,5-thiadiazole-3,4-diamine
CID 50989045
(E)-1-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylamino]-N-methyl-2-nitroethenamine oxide
CID 91873244
N'-[1-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylamino]-2-nitroethenyl]-N-[1-[2-(furan-2-ylmethylsulfanyl)ethylamino]-2-nitroethenyl]dodecane-1,12-diamine
CID 86737714

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4-methylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 137345085) is N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4-methylpyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4-methylpyrazolo[1,5-a]pyridine-3-carboxamide is Cc1cccn2ncc(C(=O)NCCSCc3ccc(CN(C)C)o3)c12.
What is the InChIKey of N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is ZIRGXQVEZBTJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-14-5-4-9-23-18(14)17(11-21-23)19(24)20-8-10-26-13-16-7-6-15(25-16)12-22(2)3/h4-7,9,11H,8,10,12-13H2,1-3H3,(H,20,24).
What are the key properties of N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4-methylpyrazolo[1,5-a]pyridine-3-carboxamide?
N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4-methylpyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-4-methylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 137345085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).