(5-methylfuran-2-yl)-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone

C25H25N3O2 — CID 110237322

IUPAC(5-methylfuran-2-yl)-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone
SMILESCc1ccc2[nH]c(C3CCCN(C(=O)c4ccc(C)o4)C3)c(-c3ccncc3)c2c1
InChIInChI=1S/C25H25N3O2/c1-16-5-7-21-20(14-16)23(18-9-11-26-12-10-18)24(27-21)19-4-3-13-28(15-19)25(29)22-8-6-17(2)30-22/h5-12,14,19,27H,3-4,13,15H2,1-2H3
InChIKeyACHXNBMGUPZYHU-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.46
Rot. Bonds3

About (5-methylfuran-2-yl)-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone

(5-methylfuran-2-yl)-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone (PubChem CID 110237322) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is (5-methylfuran-2-yl)-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methylfuran-2-yl)-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone
PubChem CID110237322
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name(5-methylfuran-2-yl)-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone
SMILESCc1ccc2[nH]c(C3CCCN(C(=O)c4ccc(C)o4)C3)c(-c3ccncc3)c2c1
InChIInChI=1S/C25H25N3O2/c1-16-5-7-21-20(14-16)23(18-9-11-26-12-10-18)24(27-21)19-4-3-13-28(15-19)25(29)22-8-6-17(2)30-22/h5-12,14,19,27H,3-4,13,15H2,1-2H3
InChIKeyACHXNBMGUPZYHU-UHFFFAOYSA-N
XLogP5.46
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95856127
[1-(difluoromethyl)pyrazol-3-yl]-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 46953377
1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-piperidin-1-ylethanone
CID 95856126
(2S)-1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one
CID 92560117
1-[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone
CID 51586304
1-[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 92560138
1-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one;hydrochloride
CID 171666983
1-[4-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]ethanone
CID 110237326
1-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 110237052
3-(2-ethylimidazol-1-yl)-1-[(3S)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]propan-1-one
CID 95856296
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-[(3R)-3-(5-methyl-3-pyridin-3-yl-1H-indol-2-yl)piperidin-1-yl]ethanone
CID 124827560
2-pyridin-2-yl-1-[3-(3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]ethanone
CID 110236867

Frequently Asked Questions

What is the IUPAC name of (5-methylfuran-2-yl)-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-methylfuran-2-yl)-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone (CID 110237322) is (5-methylfuran-2-yl)-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-methylfuran-2-yl)-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-methylfuran-2-yl)-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone is Cc1ccc2[nH]c(C3CCCN(C(=O)c4ccc(C)o4)C3)c(-c3ccncc3)c2c1.
What is the InChIKey of (5-methylfuran-2-yl)-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone?
The InChIKey is ACHXNBMGUPZYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-16-5-7-21-20(14-16)23(18-9-11-26-12-10-18)24(27-21)19-4-3-13-28(15-19)25(29)22-8-6-17(2)30-22/h5-12,14,19,27H,3-4,13,15H2,1-2H3.
What are the key properties of (5-methylfuran-2-yl)-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone?
(5-methylfuran-2-yl)-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone has a molecular weight of 399.49 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylfuran-2-yl)-[3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110237322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).