(1,5-dimethylindol-2-yl)-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone

C22H27N3O2 — CID 134706914

IUPAC(1,5-dimethylindol-2-yl)-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone
SMILESCc1ccc2c(c1)cc(C(=O)N1CCCN(Cc3ccc(C)o3)CC1)n2C
InChIInChI=1S/C22H27N3O2/c1-16-5-8-20-18(13-16)14-21(23(20)3)22(26)25-10-4-9-24(11-12-25)15-19-7-6-17(2)27-19/h5-8,13-14H,4,9-12,15H2,1-3H3
InChIKeyQCZFXJLZPBQGBC-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.74
Rot. Bonds3

About (1,5-dimethylindol-2-yl)-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone

(1,5-dimethylindol-2-yl)-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone (PubChem CID 134706914) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (1,5-dimethylindol-2-yl)-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name(1,5-dimethylindol-2-yl)-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone
PubChem CID134706914
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name(1,5-dimethylindol-2-yl)-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone
SMILESCc1ccc2c(c1)cc(C(=O)N1CCCN(Cc3ccc(C)o3)CC1)n2C
InChIInChI=1S/C22H27N3O2/c1-16-5-8-20-18(13-16)14-21(23(20)3)22(26)25-10-4-9-24(11-12-25)15-19-7-6-17(2)27-19/h5-8,13-14H,4,9-12,15H2,1-3H3
InChIKeyQCZFXJLZPBQGBC-UHFFFAOYSA-N
XLogP3.74
TPSA41.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1,5-dimethylindol-2-yl)-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone with MolForge

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Related Compounds

(1,5-dimethylindol-2-yl)-pyrrolidin-1-ylmethanone
CID 7329070
(1,5-dimethylindol-2-yl)-piperazin-1-ylmethanone
CID 110833415
(1,5-dimethylindol-2-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 46977726
(1,5-dimethylindol-2-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 110853525
(1,5-dimethylindol-2-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone
CID 46979809
azetidin-1-yl-(5-chloro-1-methylindol-2-yl)methanone
CID 141372490
(4-methoxy-2-pyridinyl)-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 134706142
2-(4-methoxyphenyl)-1-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 134706431
1,3-benzothiazol-5-yl-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 134704458
[4-(1,5-dimethylindole-2-carbonyl)morpholin-2-yl]-piperidin-1-ylmethanone
CID 110246401
[(2S)-4-(1,5-dimethylindole-2-carbonyl)morpholin-2-yl]-piperidin-1-ylmethanone
CID 92632990
(2R)-4-(1,5-dimethylindole-2-carbonyl)-N,N,2-trimethylmorpholine-2-carboxamide
CID 92632573

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylindol-2-yl)-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone?
The IUPAC name of (1,5-dimethylindol-2-yl)-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone (CID 134706914) is (1,5-dimethylindol-2-yl)-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for (1,5-dimethylindol-2-yl)-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone?
The canonical SMILES for (1,5-dimethylindol-2-yl)-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone is Cc1ccc2c(c1)cc(C(=O)N1CCCN(Cc3ccc(C)o3)CC1)n2C.
What is the InChIKey of (1,5-dimethylindol-2-yl)-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone?
The InChIKey is QCZFXJLZPBQGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16-5-8-20-18(13-16)14-21(23(20)3)22(26)25-10-4-9-24(11-12-25)15-19-7-6-17(2)27-19/h5-8,13-14H,4,9-12,15H2,1-3H3.
What are the key properties of (1,5-dimethylindol-2-yl)-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone?
(1,5-dimethylindol-2-yl)-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone has a molecular weight of 365.48 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylindol-2-yl)-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 134706914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).