5-(2-fluoro-3-pyridinyl)-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide

C20H21FN4O2 — CID 175282629

IUPAC5-(2-fluoro-3-pyridinyl)-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1c[nH]c2ccc(-c3cccnc3F)cc12
InChIInChI=1S/C20H21FN4O2/c21-19-15(2-1-5-22-19)14-3-4-18-16(12-14)17(13-24-18)20(26)23-6-7-25-8-10-27-11-9-25/h1-5,12-13,24H,6-11H2,(H,23,26)
InChIKeyTVKCLAYJQBPWMS-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.43
Rot. Bonds5

About 5-(2-fluoro-3-pyridinyl)-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide

5-(2-fluoro-3-pyridinyl)-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide (PubChem CID 175282629) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 5-(2-fluoro-3-pyridinyl)-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-(2-fluoro-3-pyridinyl)-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide
PubChem CID175282629
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name5-(2-fluoro-3-pyridinyl)-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1c[nH]c2ccc(-c3cccnc3F)cc12
InChIInChI=1S/C20H21FN4O2/c21-19-15(2-1-5-22-19)14-3-4-18-16(12-14)17(13-24-18)20(26)23-6-7-25-8-10-27-11-9-25/h1-5,12-13,24H,6-11H2,(H,23,26)
InChIKeyTVKCLAYJQBPWMS-UHFFFAOYSA-N
XLogP2.43
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide
CID 113206353
N-(2-morpholin-4-ylethyl)-5-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;hydrochloride
CID 11511166
N-(2-morpholin-4-ylethyl)quinoline-8-carboxamide
CID 30370396
6-methoxy-N-(2-morpholin-4-ylethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 91639821
5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 25176838
N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 977791
N-(2-morpholin-4-ylethyl)-1,6-naphthyridine-8-carboxamide
CID 91949050
3-chloro-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 71690241
2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
CID 107362791
8-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
CID 134799348
7-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 42873250
1-[2-(1H-indol-3-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 108988276

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-3-pyridinyl)-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide?
The IUPAC name of 5-(2-fluoro-3-pyridinyl)-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide (CID 175282629) is 5-(2-fluoro-3-pyridinyl)-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 5-(2-fluoro-3-pyridinyl)-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide?
The canonical SMILES for 5-(2-fluoro-3-pyridinyl)-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide is O=C(NCCN1CCOCC1)c1c[nH]c2ccc(-c3cccnc3F)cc12.
What is the InChIKey of 5-(2-fluoro-3-pyridinyl)-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide?
The InChIKey is TVKCLAYJQBPWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c21-19-15(2-1-5-22-19)14-3-4-18-16(12-14)17(13-24-18)20(26)23-6-7-25-8-10-27-11-9-25/h1-5,12-13,24H,6-11H2,(H,23,26).
What are the key properties of 5-(2-fluoro-3-pyridinyl)-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide?
5-(2-fluoro-3-pyridinyl)-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-3-pyridinyl)-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 175282629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).