5-methoxy-3-[1-[2-(4-nitropyrazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole

C19H21N5O3 — CID 71925265

IUPAC5-methoxy-3-[1-[2-(4-nitropyrazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESCOc1ccc2[nH]cc(C3=CCN(CCn4cc([N+](=O)[O-])cn4)CC3)c2c1
InChIInChI=1S/C19H21N5O3/c1-27-16-2-3-19-17(10-16)18(12-20-19)14-4-6-22(7-5-14)8-9-23-13-15(11-21-23)24(25)26/h2-4,10-13,20H,5-9H2,1H3
InChIKeyRPJFARJUOBFXGH-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.07
Rot. Bonds6

About 5-methoxy-3-[1-[2-(4-nitropyrazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole

5-methoxy-3-[1-[2-(4-nitropyrazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (PubChem CID 71925265) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 5-methoxy-3-[1-[2-(4-nitropyrazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.

Molecular Properties

Compound Name5-methoxy-3-[1-[2-(4-nitropyrazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
PubChem CID71925265
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name5-methoxy-3-[1-[2-(4-nitropyrazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESCOc1ccc2[nH]cc(C3=CCN(CCn4cc([N+](=O)[O-])cn4)CC3)c2c1
InChIInChI=1S/C19H21N5O3/c1-27-16-2-3-19-17(10-16)18(12-20-19)14-4-6-22(7-5-14)8-9-23-13-15(11-21-23)24(25)26/h2-4,10-13,20H,5-9H2,1H3
InChIKeyRPJFARJUOBFXGH-UHFFFAOYSA-N
XLogP3.07
TPSA89.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-methoxy-3-[1-[2-(4-nitropyrazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole with MolForge

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Related Compounds

5-methoxy-3-[1-(2-methoxyethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 71939904
5-methoxy-3-[2-(4-nitropyrazol-1-yl)ethyl]-1H-indole
CID 86704213
3-[2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione
CID 25197307
[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-[(1R,2R)-2-nitrocyclopropyl]methanone
CID 94664708
6-methoxy-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
CID 3055742
3-[1-(furan-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-5-methoxy-1H-indole
CID 141312275
5-methoxy-3-[1-[(1-propyltetrazol-5-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 71940510
cyclopropyl-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 39545624
5-propan-2-yloxy-3-[1-[2-(1H-pyrazol-4-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole;hydrochloride
CID 67759105
1-[5-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pyrazin-2-yl]pyrrolidin-2-one
CID 167981430
5-fluoro-3-[1-(4-methoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 113086924
4-acetyl-2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]benzonitrile
CID 133456437

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[1-[2-(4-nitropyrazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The IUPAC name of 5-methoxy-3-[1-[2-(4-nitropyrazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (CID 71925265) is 5-methoxy-3-[1-[2-(4-nitropyrazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.
What is the SMILES notation for 5-methoxy-3-[1-[2-(4-nitropyrazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The canonical SMILES for 5-methoxy-3-[1-[2-(4-nitropyrazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is COc1ccc2[nH]cc(C3=CCN(CCn4cc([N+](=O)[O-])cn4)CC3)c2c1.
What is the InChIKey of 5-methoxy-3-[1-[2-(4-nitropyrazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The InChIKey is RPJFARJUOBFXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-27-16-2-3-19-17(10-16)18(12-20-19)14-4-6-22(7-5-14)8-9-23-13-15(11-21-23)24(25)26/h2-4,10-13,20H,5-9H2,1H3.
What are the key properties of 5-methoxy-3-[1-[2-(4-nitropyrazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
5-methoxy-3-[1-[2-(4-nitropyrazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole has a molecular weight of 367.41 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[1-[2-(4-nitropyrazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is sourced from PubChem (CID 71925265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).