5-(6-fluoro-1,2-dihydropyridin-4-yl)-N-pyrrolidin-3-yl-2H-indol-7-amine

C17H19FN4 — CID 163773314

IUPAC5-(6-fluoro-1,2-dihydropyridin-4-yl)-N-pyrrolidin-3-yl-2H-indol-7-amine
SMILESFC1=CC(c2cc(NC3CCNC3)c3c(c2)=CCN=3)=CCN1
InChIInChI=1S/C17H19FN4/c18-16-9-11(1-5-20-16)13-7-12-2-6-21-17(12)15(8-13)22-14-3-4-19-10-14/h1-2,7-9,14,19-20,22H,3-6,10H2
InChIKeyMIGQHUDRUYIGKM-UHFFFAOYSA-N
MW298.37 g/mol
LogP0.67
Rot. Bonds3

About 5-(6-fluoro-1,2-dihydropyridin-4-yl)-N-pyrrolidin-3-yl-2H-indol-7-amine

5-(6-fluoro-1,2-dihydropyridin-4-yl)-N-pyrrolidin-3-yl-2H-indol-7-amine (PubChem CID 163773314) has the molecular formula C17H19FN4 and a molecular weight of 298.37 g/mol. Its IUPAC name is 5-(6-fluoro-1,2-dihydropyridin-4-yl)-N-pyrrolidin-3-yl-2H-indol-7-amine.

Molecular Properties

Compound Name5-(6-fluoro-1,2-dihydropyridin-4-yl)-N-pyrrolidin-3-yl-2H-indol-7-amine
PubChem CID163773314
Molecular FormulaC17H19FN4
Molecular Weight298.37 g/mol
Exact Mass298.16
IUPAC Name5-(6-fluoro-1,2-dihydropyridin-4-yl)-N-pyrrolidin-3-yl-2H-indol-7-amine
SMILESFC1=CC(c2cc(NC3CCNC3)c3c(c2)=CCN=3)=CCN1
InChIInChI=1S/C17H19FN4/c18-16-9-11(1-5-20-16)13-7-12-2-6-21-17(12)15(8-13)22-14-3-4-19-10-14/h1-2,7-9,14,19-20,22H,3-6,10H2
InChIKeyMIGQHUDRUYIGKM-UHFFFAOYSA-N
XLogP0.67
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

3-(3-fluoro-5-iminocyclohexa-1,3-dien-1-yl)-N-pyrrolidin-3-yl-7-azabicyclo[4.2.0]octa-2,4,7-trien-5-amine
CID 164118462
6-Fluoro-1,2,3,5-tetrahydropyrrolo[3,2-b]carbazole
CID 175852111
1-[(2E,4Z)-5-fluoro-7-methyl-3-[[4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methylamino]octa-2,4,6-trien-4-yl]pyrrolidin-3-amine
CID 176561477
3-fluoro-N-[[4-[(Z)-2-(methylideneamino)ethenyl]iminocyclohexa-1,5-dien-1-yl]methyl]-4-pyrrolidin-1-yl-1,2-dihydropyridin-5-amine
CID 176561539
5-(5-methyl-2,3-dihydro-1H-pyrrol-1-ium-3-yl)-N-pyrrolidin-3-yl-2H-indol-7-amine
CID 164123851
2-(4a,5-dihydro-1H-quinoxalin-2-ylidene)-3-pyrrolidin-3-yliminopropan-1-amine
CID 173999244
5-(5-methyl-2,3-dihydro-1H-pyrrol-3-yl)-N-pyrrolidin-3-yl-2H-indol-7-amine
CID 164123852

Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-1,2-dihydropyridin-4-yl)-N-pyrrolidin-3-yl-2H-indol-7-amine?
The IUPAC name of 5-(6-fluoro-1,2-dihydropyridin-4-yl)-N-pyrrolidin-3-yl-2H-indol-7-amine (CID 163773314) is 5-(6-fluoro-1,2-dihydropyridin-4-yl)-N-pyrrolidin-3-yl-2H-indol-7-amine.
What is the SMILES notation for 5-(6-fluoro-1,2-dihydropyridin-4-yl)-N-pyrrolidin-3-yl-2H-indol-7-amine?
The canonical SMILES for 5-(6-fluoro-1,2-dihydropyridin-4-yl)-N-pyrrolidin-3-yl-2H-indol-7-amine is FC1=CC(c2cc(NC3CCNC3)c3c(c2)=CCN=3)=CCN1.
What is the InChIKey of 5-(6-fluoro-1,2-dihydropyridin-4-yl)-N-pyrrolidin-3-yl-2H-indol-7-amine?
The InChIKey is MIGQHUDRUYIGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4/c18-16-9-11(1-5-20-16)13-7-12-2-6-21-17(12)15(8-13)22-14-3-4-19-10-14/h1-2,7-9,14,19-20,22H,3-6,10H2.
What are the key properties of 5-(6-fluoro-1,2-dihydropyridin-4-yl)-N-pyrrolidin-3-yl-2H-indol-7-amine?
5-(6-fluoro-1,2-dihydropyridin-4-yl)-N-pyrrolidin-3-yl-2H-indol-7-amine has a molecular weight of 298.37 g/mol, XLogP of 0.67, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-1,2-dihydropyridin-4-yl)-N-pyrrolidin-3-yl-2H-indol-7-amine is sourced from PubChem (CID 163773314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).