2-[2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,4-dihydro-2H-naphthalen-1-one

C25H26N2O — CID 44535079

IUPAC2-[2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccccc2CCC1CCN1CC=C(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C25H26N2O/c28-25-20(10-9-18-5-1-2-6-21(18)25)13-16-27-14-11-19(12-15-27)23-17-26-24-8-4-3-7-22(23)24/h1-8,11,17,20,26H,9-10,12-16H2
InChIKeyDJIOHAKTOGKYTN-UHFFFAOYSA-N
MW370.50 g/mol
LogP5.09
Rot. Bonds4

About 2-[2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,4-dihydro-2H-naphthalen-1-one

2-[2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 44535079) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-[2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-[2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID44535079
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC Name2-[2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccccc2CCC1CCN1CC=C(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C25H26N2O/c28-25-20(10-9-18-5-1-2-6-21(18)25)13-16-27-14-11-19(12-15-27)23-17-26-24-8-4-3-7-22(23)24/h1-8,11,17,20,26H,9-10,12-16H2
InChIKeyDJIOHAKTOGKYTN-UHFFFAOYSA-N
XLogP5.09
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanethiol
CID 116997247
[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanamine
CID 116997248
2a-[5-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pentyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one
CID 44534873
3-[2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-methyl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one
CID 11538269
1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-2-amine
CID 116997235
3-[3-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide
CID 14580039
5-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,2-oxazole
CID 71942846
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 41133578
(4R)-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]imidazolidin-2-one
CID 97083905
3-[1-(3,4-dihydro-2H-chromen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole
CID 10270024
6-[2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 11710902
3-[1-[2-(5-fluoro-1-benzofuran-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 11164277

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 2-[2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,4-dihydro-2H-naphthalen-1-one (CID 44535079) is 2-[2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 2-[2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 2-[2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,4-dihydro-2H-naphthalen-1-one is O=C1c2ccccc2CCC1CCN1CC=C(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 2-[2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is DJIOHAKTOGKYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c28-25-20(10-9-18-5-1-2-6-21(18)25)13-16-27-14-11-19(12-15-27)23-17-26-24-8-4-3-7-22(23)24/h1-8,11,17,20,26H,9-10,12-16H2.
What are the key properties of 2-[2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,4-dihydro-2H-naphthalen-1-one?
2-[2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 370.50 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 44535079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).