[5-(diethylaminomethyl)-2-phenylfuran-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

C22H26N4O2 — CID 72921887

IUPAC[5-(diethylaminomethyl)-2-phenylfuran-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESCCN(CC)Cc1cc(C(=O)N2CCc3nc[nH]c3C2)c(-c2ccccc2)o1
InChIInChI=1S/C22H26N4O2/c1-3-25(4-2)13-17-12-18(21(28-17)16-8-6-5-7-9-16)22(27)26-11-10-19-20(14-26)24-15-23-19/h5-9,12,15H,3-4,10-11,13-14H2,1-2H3,(H,23,24)
InChIKeyNLYUJMYOIPOTJP-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.71
Rot. Bonds6

About [5-(diethylaminomethyl)-2-phenylfuran-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

[5-(diethylaminomethyl)-2-phenylfuran-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (PubChem CID 72921887) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is [5-(diethylaminomethyl)-2-phenylfuran-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[5-(diethylaminomethyl)-2-phenylfuran-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
PubChem CID72921887
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name[5-(diethylaminomethyl)-2-phenylfuran-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESCCN(CC)Cc1cc(C(=O)N2CCc3nc[nH]c3C2)c(-c2ccccc2)o1
InChIInChI=1S/C22H26N4O2/c1-3-25(4-2)13-17-12-18(21(28-17)16-8-6-5-7-9-16)22(27)26-11-10-19-20(14-26)24-15-23-19/h5-9,12,15H,3-4,10-11,13-14H2,1-2H3,(H,23,24)
InChIKeyNLYUJMYOIPOTJP-UHFFFAOYSA-N
XLogP3.71
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(diethylaminomethyl)-2-phenylfuran-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of [5-(diethylaminomethyl)-2-phenylfuran-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (CID 72921887) is [5-(diethylaminomethyl)-2-phenylfuran-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for [5-(diethylaminomethyl)-2-phenylfuran-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for [5-(diethylaminomethyl)-2-phenylfuran-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is CCN(CC)Cc1cc(C(=O)N2CCc3nc[nH]c3C2)c(-c2ccccc2)o1.
What is the InChIKey of [5-(diethylaminomethyl)-2-phenylfuran-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is NLYUJMYOIPOTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-3-25(4-2)13-17-12-18(21(28-17)16-8-6-5-7-9-16)22(27)26-11-10-19-20(14-26)24-15-23-19/h5-9,12,15H,3-4,10-11,13-14H2,1-2H3,(H,23,24).
What are the key properties of [5-(diethylaminomethyl)-2-phenylfuran-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
[5-(diethylaminomethyl)-2-phenylfuran-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 378.48 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(diethylaminomethyl)-2-phenylfuran-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 72921887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).